#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crg h SER 2 N 0.00 0.33 -2.45 1.61 4.64 -1.91 -3.48 113.55 112.28 2crg h SER 2 Ca 0.00 -0.83 -0.59 0.00 -0.47 0.00 0.00 61.79 59.90 2crg h SER 2 Cb 0.00 -0.11 -0.12 0.00 -0.31 0.00 0.00 62.40 61.87 2crg h SER 2 CO 0.00 1.58 -0.69 -0.55 -0.87 0.00 0.00 176.83 176.30 2crg s SER 3 N -6.98 4.28 0.00 4.97 0.15 -1.26 -5.11 113.70 109.76 2crg s SER 3 Ca -0.21 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 55.75 2crg s SER 3 Cb 0.04 -0.71 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 2crg s SER 3 CO 0.75 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.84 2crg n GLY 4 N -0.56 2.70 3.48 9.45 0.00 -1.26 -4.93 105.19 114.07 2crg n GLY 4 Ca -0.08 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 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 6.66 -1.41 1.61 0.01 -1.26 -4.27 113.70 115.05 2crg s SER 5 Ca 0.00 -2.04 -0.10 0.00 1.31 0.00 0.00 55.95 55.12 2crg s SER 5 Cb 0.00 -2.45 0.03 0.00 0.21 0.00 0.00 66.02 63.82 2crg s SER 5 CO 0.00 -1.13 1.10 -0.24 0.41 0.00 0.00 173.24 173.38 2crg n SER 6 N 7.07 -5.58 -4.21 2.44 2.88 -1.26 -4.96 113.62 110.01 2crg n SER 6 Ca 0.29 -0.63 -0.40 0.00 -1.33 0.00 0.00 58.87 56.80 2crg n SER 6 Cb 0.49 -4.64 -0.10 0.00 -0.75 0.00 0.00 64.21 59.21 2crg n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2crg s GLY 7 N -3.39 1.99 -0.05 0.46 0.00 -1.26 -5.00 107.32 100.08 2crg s GLY 7 Ca 0.58 -2.37 -0.02 0.00 0.00 0.00 0.00 44.72 42.90 2crg s GLY 7 CO 0.76 1.03 0.08 1.06 0.00 0.00 0.00 173.10 176.03 2crg s MET 8 N 1.34 -0.04 -0.18 2.90 1.00 -1.26 -4.25 119.30 118.80 2crg s MET 8 Ca 0.05 0.39 0.00 0.00 0.00 0.00 0.00 55.69 56.12 2crg s MET 8 Cb -0.24 -0.41 0.00 0.00 0.00 0.00 0.00 34.83 34.18 2crg s MET 8 CO -0.00 -0.29 0.00 0.39 0.00 0.00 0.00 175.02 175.11 2crg n GLU 9 N 5.08 -2.81 -1.03 2.03 1.02 -1.26 -4.74 120.64 118.93 2crg n GLU 9 Ca -0.08 0.10 -0.17 0.00 -0.02 0.00 0.00 57.16 56.99 2crg n GLU 9 Cb 0.50 -4.61 -0.01 0.00 -0.02 0.00 0.00 31.44 27.30 2crg n GLU 9 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2crg n GLU 10 N -2.51 1.90 -1.45 3.49 1.02 -1.26 -4.97 120.64 116.85 2crg n GLU 10 Ca -0.03 -1.55 -0.57 0.00 -0.02 0.00 0.00 57.16 55.00 2crg n GLU 10 Cb 0.51 -1.73 -0.08 0.00 -0.02 0.00 0.00 31.44 30.12 2crg n GLU 10 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2crg n TRP 11 N 0.85 0.73 -3.36 -0.32 7.02 -1.26 -4.94 117.44 116.15 2crg n TRP 11 Ca 0.33 1.02 -0.19 0.00 -1.02 0.00 0.00 57.50 57.64 2crg n TRP 11 Cb 0.60 -2.00 -0.02 0.00 -2.42 0.00 0.00 31.31 27.47 2crg n TRP 11 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2crg s SER 12 N 0.32 5.31 0.18 -0.99 1.04 -1.26 -4.86 113.70 113.45 2crg s SER 12 Ca 0.88 -0.60 -0.21 0.00 0.48 0.00 0.00 55.95 56.50 2crg s SER 12 Cb -1.23 -0.64 0.11 0.00 0.10 0.00 0.00 66.02 64.37 2crg s SER 12 CO 0.57 -0.68 1.58 0.00 0.98 0.00 0.00 173.24 175.70 2crg h ALA 13 N 0.89 -0.07 -0.44 5.32 0.00 -1.99 0.27 119.26 123.24 2crg h ALA 13 Ca -0.41 0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.73 2crg h ALA 13 Cb 1.27 0.80 -0.06 0.00 0.00 0.00 0.00 17.79 19.80 2crg h ALA 13 CO 0.53 -0.69 0.10 0.66 0.00 0.00 0.00 179.25 179.84 2crg h SER 14 N -0.17 0.03 0.90 0.00 4.64 -1.99 -1.42 113.55 115.53 2crg h SER 14 Ca 0.23 0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.57 2crg h SER 14 Cb 0.55 0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.74 2crg h SER 14 CO -0.68 0.05 -0.43 -0.33 -0.87 0.00 0.00 176.83 174.57 2crg h GLU 15 N 0.24 -1.16 -0.41 4.77 3.07 -1.43 -0.01 114.58 119.66 2crg h GLU 15 Ca 0.21 0.08 0.04 0.00 -0.50 0.00 0.00 59.36 59.20 2crg h GLU 15 Cb 0.26 0.26 -0.06 0.00 -0.84 0.00 0.00 28.75 28.37 2crg h GLU 15 CO -0.27 -0.77 -0.38 0.00 -1.40 0.00 0.00 179.01 176.19 2crg h ALA 16 N -1.43 -0.53 -0.10 3.43 0.00 -0.40 -0.55 119.26 119.68 2crg h ALA 16 Ca -0.12 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2crg h ALA 16 Cb 0.92 1.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.73 2crg h ALA 16 CO 0.20 -0.74 -0.34 0.00 0.00 0.00 0.00 179.25 178.37 2crg h LEU 18 N -0.44 -1.60 -0.16 0.00 3.38 -0.17 -2.19 115.31 114.14 2crg h LEU 18 Ca 0.08 0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.30 2crg h LEU 18 Cb 0.57 0.69 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 2crg h LEU 18 CO -0.34 -0.24 -0.10 0.33 0.09 0.00 0.00 178.44 178.18 2crg n PHE 19 N -4.77 -0.07 -0.34 1.13 7.35 -0.29 0.77 117.46 121.23 2crg n PHE 19 Ca -0.00 0.20 0.17 0.00 -0.76 0.00 0.00 57.45 57.06 2crg n PHE 19 Cb 0.23 -0.44 0.33 0.00 0.35 0.00 0.00 39.48 39.95 2crg n PHE 19 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2crg h GLU 20 N 0.00 0.01 -0.25 -4.13 5.08 -1.34 1.35 114.58 115.30 2crg h GLU 20 Ca 0.03 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 2crg h GLU 20 Cb 0.07 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2crg h GLU 20 CO -0.15 0.01 -0.36 0.93 -1.00 0.00 0.00 179.01 178.43 2crg h GLU 21 N 0.01 0.56 -0.71 2.33 5.08 0.78 -2.56 114.58 120.07 2crg h GLU 21 Ca 0.63 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.74 2crg h GLU 21 Cb 1.36 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.57 2crg h GLU 21 CO -0.90 0.84 0.46 0.00 -1.00 0.00 0.00 179.01 178.41 2crg h ALA 22 N 1.14 0.91 0.38 3.43 0.00 0.64 0.63 119.26 126.39 2crg h ALA 22 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2crg h ALA 22 Cb 0.85 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2crg h ALA 22 CO 0.07 0.28 -0.18 1.25 0.00 0.00 0.00 179.25 180.67 2crg h LEU 23 N 0.92 -0.43 -1.29 0.00 5.85 -1.15 0.42 115.31 119.64 2crg h LEU 23 Ca 0.27 -0.14 0.15 0.00 0.84 0.00 0.00 57.88 59.01 2crg h LEU 23 Cb -0.06 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 2crg h LEU 23 CO -0.08 -0.03 0.58 1.05 -0.34 0.00 0.00 178.44 179.62 2crg h GLU 24 N -0.91 0.65 0.08 1.25 4.11 -1.39 1.05 114.58 119.42 2crg h GLU 24 Ca -0.05 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.34 2crg h GLU 24 Cb 0.54 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2crg h GLU 24 CO 0.09 0.43 -0.04 -0.22 0.07 0.00 0.00 179.01 179.34 2crg h LYS 25 N 0.67 -0.10 0.01 1.06 3.64 -0.84 -3.42 116.57 117.59 2crg h LYS 25 Ca 0.46 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.85 2crg h LYS 25 Cb 0.78 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2crg h LYS 25 CO -0.22 -0.07 -0.00 1.88 -2.27 0.00 0.00 179.45 178.77 2crg h TYR 26 N -0.67 -0.01 0.00 1.91 0.05 -0.04 -3.51 116.97 114.71 2crg h TYR 26 Ca -0.01 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2crg h TYR 26 Cb 0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 2crg h TYR 26 CO 0.01 -0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.53 2crg n GLY 27 N 1.85 0.09 2.04 3.88 0.00 0.36 -4.75 105.19 108.66 2crg n GLY 27 Ca -0.00 -1.87 -0.08 0.00 0.00 0.00 0.00 46.02 44.07 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 1.46 -3.52 1.61 4.76 -1.26 -4.50 118.16 116.72 2crg n LYS 28 Ca 0.00 -0.67 -0.27 0.00 -2.87 0.00 0.00 58.31 54.50 2crg n LYS 28 Cb 0.00 -1.78 -0.10 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 2.46 0.64 0.01 4.39 -0.08 -1.26 -4.95 116.55 117.76 2crg n ASP 29 Ca 0.29 -2.65 0.18 0.00 -1.51 0.00 0.00 54.79 51.10 2crg n ASP 29 Cb 0.68 -0.62 0.66 0.00 2.34 0.00 0.00 41.12 44.18 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 5.41 0.07 0.65 -0.67 0.04 -1.94 -2.66 116.94 117.83 2crg h PHE 30 Ca 0.22 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 2crg h PHE 30 Cb 0.86 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.99 2crg h PHE 30 CO 0.40 0.03 -0.35 -0.97 -0.60 0.00 0.00 178.31 176.82 2crg h ASN 31 N 0.06 -0.84 -0.91 2.17 -0.73 -1.94 0.13 115.58 113.53 2crg h ASN 31 Ca 0.24 0.04 0.25 0.00 1.87 0.00 0.00 56.30 58.70 2crg h ASN 31 Cb 0.87 0.23 -0.14 0.00 0.27 0.00 0.00 38.32 39.55 2crg h ASN 31 CO -0.02 -0.56 0.30 0.44 -0.37 0.00 0.00 177.43 177.22 2crg h ASP 32 N -0.92 0.10 0.00 1.15 3.32 -1.91 0.30 116.42 118.47 2crg h ASP 32 Ca -0.09 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2crg h ASP 32 Cb 0.71 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2crg h ASP 32 CO 0.13 -0.15 0.00 -0.38 -1.72 0.00 0.00 179.24 177.11 2crg n ILE 33 N -5.19 0.00 0.22 0.35 5.41 -1.10 -2.86 119.36 116.19 2crg n ILE 33 Ca 0.24 1.05 0.11 0.00 1.00 0.00 0.00 62.75 65.14 2crg n ILE 33 Cb 0.75 -1.98 0.40 0.00 -0.71 0.00 0.00 39.64 38.11 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 0.41 0.38 2.43 -0.45 0.12 114.38 117.27 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 -0.20 0.37 -1.51 0.00 0.00 179.97 178.63 2crg h GLN 35 N 0.00 -0.54 0.00 0.20 4.15 -0.33 -2.87 115.11 115.73 2crg h GLN 35 Ca 0.10 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.55 2crg h GLN 35 Cb 1.62 0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.43 2crg h GLN 35 CO -0.00 -0.36 -0.72 -0.25 -1.93 0.00 0.00 178.83 175.57 2crg n ASP 36 N -4.15 1.57 -0.24 -0.69 9.92 -0.29 -4.19 116.55 118.47 2crg n ASP 36 Ca -0.07 0.26 -0.06 0.00 -0.53 0.00 0.00 54.79 54.39 2crg n ASP 36 Cb 0.22 -0.64 -0.06 0.00 -0.64 0.00 0.00 41.12 40.00 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 -4.07 -0.25 -3.61 1.24 3.01 0.27 -3.73 117.46 110.32 2crg n PHE 37 Ca -0.10 0.72 -0.29 0.00 1.01 0.00 0.00 57.45 58.79 2crg n PHE 37 Cb 0.38 -0.52 -0.13 0.00 -0.01 0.00 0.00 39.48 39.19 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 -8.81 1.73 0.10 4.37 1.43 -0.93 -4.99 118.68 111.58 2crg s LEU 38 Ca -0.07 -2.07 -0.15 0.00 -1.03 0.00 0.00 54.13 50.81 2crg s LEU 38 Cb 0.06 -0.69 -0.08 0.00 0.03 0.00 0.00 46.19 45.51 2crg s LEU 38 CO 0.36 -0.34 1.42 1.55 0.23 0.00 0.00 176.35 179.57 2crg h PRO 39 N 7.36 0.72 -0.31 1.29 0.13 -1.59 -3.26 132.00 136.34 2crg h PRO 39 Ca -0.04 -0.38 -0.07 0.00 -0.87 0.00 0.00 66.00 64.64 2crg h PRO 39 Cb 0.97 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 2crg h PRO 39 CO 0.40 0.99 -0.06 0.11 -0.23 0.00 0.00 178.00 179.21 2crg h TRP 40 N 0.46 0.67 -3.12 1.56 0.09 -1.93 -3.45 115.95 110.23 2crg h TRP 40 Ca 0.05 -0.14 -0.54 0.00 0.09 0.00 0.00 58.89 58.35 2crg h TRP 40 Cb 0.86 -0.16 0.22 0.00 0.08 0.00 0.00 29.16 30.15 2crg h TRP 40 CO 0.07 0.77 -0.78 1.63 0.09 0.00 0.00 178.44 180.22 2crg n LYS 41 N -4.48 -0.16 -2.60 0.12 4.76 -1.23 -4.66 118.16 109.91 2crg n LYS 41 Ca -0.03 -0.01 -0.23 0.00 -2.87 0.00 0.00 58.31 55.18 2crg n LYS 41 Cb 0.32 -1.69 0.08 0.00 -1.84 0.00 0.00 35.03 31.89 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 -1.76 4.74 -0.04 4.39 0.01 -1.26 -4.98 113.70 114.80 2crg s SER 42 Ca 0.55 -0.21 -0.15 0.00 1.31 0.00 0.00 55.95 57.45 2crg s SER 42 Cb -0.23 -0.37 -0.09 0.00 0.21 0.00 0.00 66.02 65.54 2crg s SER 42 CO 0.69 -1.56 0.62 0.25 0.41 0.00 0.00 173.24 173.65 2crg h LEU 43 N -0.28 -0.42 -0.08 2.44 7.12 -1.94 -3.23 115.31 118.91 2crg h LEU 43 Ca -0.39 -0.01 -0.03 0.00 0.13 0.00 0.00 57.88 57.59 2crg h LEU 43 Cb 1.28 0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 41.52 2crg h LEU 43 CO 0.46 0.02 -0.05 0.74 -0.13 0.00 0.00 178.44 179.47 2crg h THR 44 N -1.12 1.34 -0.91 1.05 2.02 -1.99 -3.23 112.91 110.07 2crg h THR 44 Ca -0.05 -1.11 0.17 0.00 0.77 0.00 0.00 66.41 66.19 2crg h THR 44 Cb 0.41 1.92 -0.17 0.00 -1.74 0.00 0.00 68.15 68.57 2crg h THR 44 CO 0.08 0.31 -0.25 -1.20 0.37 0.00 0.00 175.52 174.83 2crg n SER 45 N -4.74 -0.38 -0.09 4.18 7.64 -1.26 0.23 113.62 119.19 2crg n SER 45 Ca -0.07 1.57 0.02 0.00 1.01 0.00 0.00 58.87 61.40 2crg n SER 45 Cb 0.28 -0.45 0.33 0.00 -1.01 0.00 0.00 64.21 63.35 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 1.15 -0.34 0.44 2.04 -1.57 -2.56 117.51 116.67 2crg h ILE 46 Ca 0.41 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 2crg h ILE 46 Cb 0.64 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2crg h ILE 46 CO -0.93 0.16 0.13 0.40 0.00 0.00 0.00 178.15 177.91 2crg h ILE 47 N 0.75 1.19 -0.92 -0.67 2.04 0.28 -2.96 117.51 117.22 2crg h ILE 47 Ca 0.20 -0.59 0.24 0.00 1.00 0.00 0.00 64.86 65.71 2crg h ILE 47 Cb -0.04 0.94 -0.17 0.00 -0.74 0.00 0.00 36.82 36.81 2crg h ILE 47 CO -0.04 0.21 0.05 -0.33 0.00 0.00 0.00 178.15 178.04 2crg h GLU 48 N 0.41 0.06 -0.78 2.37 5.08 -0.80 0.62 114.58 121.53 2crg h GLU 48 Ca 0.11 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.57 2crg h GLU 48 Cb 0.20 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.36 2crg h GLU 48 CO -0.01 0.04 0.42 -0.92 -1.00 0.00 0.00 179.01 177.54 2crg h TYR 49 N 0.06 0.75 -0.90 4.33 5.03 -1.58 -2.35 116.97 122.31 2crg h TYR 49 Ca 0.55 0.03 0.15 0.00 2.58 0.00 0.00 58.73 62.04 2crg h TYR 49 Cb 1.10 -0.22 -0.15 0.00 1.55 0.00 0.00 36.73 39.00 2crg h TYR 49 CO -0.45 0.28 -0.35 -0.92 -1.32 0.00 0.00 178.16 175.40 2crg h TYR 50 N 0.69 -0.94 0.63 -3.82 3.20 0.19 0.23 116.97 117.16 2crg h TYR 50 Ca 0.38 0.09 -0.03 0.00 3.14 0.00 0.00 58.73 62.32 2crg h TYR 50 Cb 0.40 0.54 0.01 0.00 1.54 0.00 0.00 36.73 39.22 2crg h TYR 50 CO -0.08 -0.40 -0.30 1.88 -1.64 0.00 0.00 178.16 177.61 2crg h TYR 51 N -0.03 -0.79 -0.34 -3.82 0.05 -1.46 0.45 116.97 111.03 2crg h TYR 51 Ca 0.35 -0.02 0.04 0.00 0.05 0.00 0.00 58.73 59.15 2crg h TYR 51 Cb 0.61 0.26 -0.07 0.00 1.01 0.00 0.00 36.73 38.53 2crg h TYR 51 CO -0.80 -0.46 -0.50 1.98 -1.05 0.00 0.00 178.16 177.33 2crg h MET 52 N -0.96 -0.36 -0.74 4.88 4.05 -1.00 0.23 114.93 121.02 2crg h MET 52 Ca -0.09 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.43 2crg h MET 52 Cb 0.68 0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 31.51 2crg h MET 52 CO 0.14 -0.24 0.42 2.35 0.23 0.00 0.00 176.91 179.81 2crg h TRP 53 N -0.38 0.78 -0.34 1.39 7.01 -0.63 0.22 115.95 124.00 2crg h TRP 53 Ca 0.06 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.14 2crg h TRP 53 Cb 0.55 -0.24 -0.05 0.00 -2.10 0.00 0.00 29.16 27.32 2crg h TRP 53 CO -0.70 0.36 0.06 -0.22 -2.79 0.00 0.00 178.44 175.15 2crg h LYS 54 N 0.76 0.17 -0.03 2.65 1.63 0.60 -1.63 116.57 120.73 2crg h LYS 54 Ca 0.34 -0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 60.03 2crg h LYS 54 Cb 0.23 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 2crg h LYS 54 CO -0.20 0.11 -0.43 1.79 -3.45 0.00 0.00 179.45 177.27 2crg h THR 55 N 0.17 1.31 -1.54 1.00 1.35 0.01 -3.45 112.91 111.76 2crg h THR 55 Ca 0.16 -1.50 -0.66 0.00 -0.55 0.00 0.00 66.41 63.86 2crg h THR 55 Cb 0.19 1.78 0.10 0.00 -1.73 0.00 0.00 68.15 68.48 2crg h THR 55 CO -0.22 0.43 -0.16 0.41 -0.25 0.00 0.00 175.52 175.73 2crg n THR 56 N -4.02 1.59 -3.76 6.82 -1.04 0.01 -4.92 114.28 108.96 2crg n THR 56 Ca -0.02 -0.40 -0.33 0.00 -2.04 0.00 0.00 64.05 61.27 2crg n THR 56 Cb 0.46 -0.40 -0.09 0.00 -1.82 0.00 0.00 70.33 68.48 2crg n THR 56 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2crg s ASP 57 N -0.60 5.40 -0.25 8.00 -4.77 -1.26 -4.86 116.67 118.32 2crg s ASP 57 Ca 0.67 -3.64 -0.16 0.00 -3.30 0.00 0.00 52.55 46.12 2crg s ASP 57 Cb -0.90 -1.79 -0.13 0.00 -1.09 0.00 0.00 42.92 39.02 2crg s ASP 57 CO 0.56 -0.17 -0.24 0.54 0.70 0.00 0.00 175.17 176.57 2crg n ARG 58 N 2.36 0.58 -3.68 2.11 1.74 -1.26 -4.81 116.66 113.69 2crg n ARG 58 Ca 0.18 0.33 -0.28 0.00 -0.77 0.00 0.00 57.85 57.31 2crg n ARG 58 Cb 0.36 -1.54 -0.11 0.00 -1.02 0.00 0.00 32.46 30.14 2crg n ARG 58 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2crg s TYR 59 N -2.50 2.42 0.10 -1.55 5.04 -1.26 -4.88 117.35 114.72 2crg s TYR 59 Ca -0.36 -2.84 0.00 0.00 -2.44 0.00 0.00 57.07 51.44 2crg s TYR 59 Cb 0.12 -1.93 0.00 0.00 0.35 0.00 0.00 41.96 40.50 2crg s TYR 59 CO 0.50 -0.68 0.00 0.28 -1.34 0.00 0.00 175.55 174.31 2crg n VAL 60 N 2.52 0.43 -0.83 3.14 0.31 -1.26 -5.09 118.33 117.55 2crg n VAL 60 Ca 0.22 0.14 -0.34 0.00 -0.01 0.00 0.00 64.34 64.36 2crg n VAL 60 Cb 0.40 -1.16 0.11 0.00 -0.91 0.00 0.00 33.84 32.28 2crg n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2crg n GLN 61 N -3.20 -0.29 -4.42 5.55 6.02 -1.26 -5.02 117.38 114.76 2crg n GLN 61 Ca 0.00 -0.05 -0.20 0.00 -0.01 0.00 0.00 57.00 56.74 2crg n GLN 61 Cb 0.14 -1.67 -0.14 0.00 1.02 0.00 0.00 30.24 29.58 2crg n GLN 61 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2crg s GLN 62 N -3.29 0.87 0.20 -1.09 -2.07 -1.26 -5.04 119.66 107.97 2crg s GLN 62 Ca 0.53 -0.48 -0.10 0.00 -1.82 0.00 0.00 55.36 53.49 2crg s GLN 62 Cb -0.20 -0.84 0.13 0.00 -1.09 0.00 0.00 33.01 31.02 2crg s GLN 62 CO 0.70 0.22 1.82 -0.22 -1.32 0.00 0.00 175.29 176.50 2crg h LYS 63 N 5.62 0.99 -0.97 9.60 1.63 -2.04 -3.09 116.57 128.32 2crg h LYS 63 Ca -0.33 -0.11 0.10 0.00 -0.85 0.00 0.00 60.65 59.46 2crg h LYS 63 Cb 1.18 -0.20 -0.12 0.00 -0.60 0.00 0.00 32.23 32.48 2crg h LYS 63 CO 0.48 0.73 -0.55 -0.09 -3.45 0.00 0.00 179.45 176.57 2crg h ARG 64 N 0.98 -0.02 -6.19 1.90 9.65 -2.03 -3.23 114.38 115.43 2crg h ARG 64 Ca 0.25 0.00 -0.55 0.00 -1.10 0.00 0.00 59.98 58.58 2crg h ARG 64 Cb 0.02 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 28.52 2crg h ARG 64 CO -0.04 -0.01 1.26 0.45 2.80 0.00 0.00 179.97 184.42 2crg s SER 65 N -5.45 6.22 0.00 -3.80 0.15 -1.17 -4.53 113.70 105.11 2crg s SER 65 Ca -0.12 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.65 2crg s SER 65 Cb 0.12 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2crg s SER 65 CO 0.64 -1.76 0.00 0.61 1.20 0.00 0.00 173.24 173.92 2crg n GLY 66 N 6.17 2.54 0.22 9.45 0.00 -1.22 -4.79 105.19 117.56 2crg n GLY 66 Ca 0.20 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 0.72 -0.87 1.61 0.13 -1.89 -3.30 132.00 128.41 2crg h PRO 67 Ca 0.00 -0.38 0.09 0.00 -0.87 0.00 0.00 66.00 64.84 2crg h PRO 67 Cb 0.00 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.03 2crg h PRO 67 CO 0.00 1.00 -0.54 0.77 -0.23 0.00 0.00 178.00 179.00 2crg h SER 68 N 0.47 -1.97 -3.81 1.44 0.02 -1.91 -3.40 113.55 104.40 2crg h SER 68 Ca 0.05 0.31 -0.48 0.00 -0.84 0.00 0.00 61.79 60.82 2crg h SER 68 Cb 0.87 0.88 0.19 0.00 0.14 0.00 0.00 62.40 64.48 2crg h SER 68 CO 0.07 -0.27 0.14 -0.94 -1.14 0.00 0.00 176.83 174.69 2crg s SER 69 N -5.38 2.21 0.00 3.07 1.04 -1.24 -5.21 113.70 108.18 2crg s SER 69 Ca -0.13 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.09 2crg s SER 69 Cb 0.12 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.85 2crg s SER 69 CO 0.64 -3.48 0.00 0.61 0.98 0.00 0.00 173.24 171.98