#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 1.15 0.28 1.61 0.15 -1.26 -5.13 113.70 110.49 2crg s SER 2 Ca 0.00 -0.44 -0.29 0.00 0.70 0.00 0.00 55.95 55.92 2crg s SER 2 Cb 0.00 -0.04 -0.10 0.00 -1.71 0.00 0.00 66.02 64.18 2crg s SER 2 CO 0.00 -0.06 1.19 -0.55 1.20 0.00 0.00 173.24 175.02 2crg s SER 3 N -1.17 7.07 -0.90 5.45 0.15 -1.26 -4.96 113.70 118.08 2crg s SER 3 Ca -0.03 2.40 -0.00 0.00 0.70 0.00 0.00 55.95 59.01 2crg s SER 3 Cb -0.08 -2.63 0.33 0.00 -1.71 0.00 0.00 66.02 61.94 2crg s SER 3 CO 0.01 -0.32 1.75 0.61 1.20 0.00 0.00 173.24 176.49 2crg n GLY 4 N 1.30 5.92 3.12 9.45 0.00 -1.26 -4.96 105.19 118.76 2crg n GLY 4 Ca 0.00 -2.59 -0.28 0.00 0.00 0.00 0.00 46.02 43.16 2crg n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crg s SER 5 N -1.62 2.43 0.15 1.61 1.04 -1.26 -5.10 113.70 110.95 2crg s SER 5 Ca 0.44 -0.43 -0.34 0.00 0.48 0.00 0.00 55.95 56.10 2crg s SER 5 Cb 0.28 -1.12 -0.15 0.00 0.10 0.00 0.00 66.02 65.13 2crg s SER 5 CO -0.21 0.09 1.50 -1.20 0.98 0.00 0.00 173.24 174.40 2crg n SER 6 N 3.70 2.66 0.00 7.02 7.64 -1.26 -4.86 113.62 128.52 2crg n SER 6 Ca -0.21 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.77 2crg n SER 6 Cb 0.52 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 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 3.07 4.70 3.58 0.23 0.00 -1.26 -5.14 105.19 110.37 2crg n GLY 7 Ca 0.17 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 -4.07 -0.28 0.24 1.61 0.00 -1.26 -5.04 119.30 110.49 2crg s MET 8 Ca 0.00 0.74 0.05 0.00 0.00 0.00 0.00 55.69 56.48 2crg s MET 8 Cb 0.00 -1.64 -0.03 0.00 0.00 0.00 0.00 34.83 33.16 2crg s MET 8 CO 0.00 -3.27 0.33 -1.83 0.00 0.00 0.00 175.02 170.25 2crg s GLU 9 N -4.68 3.32 -0.13 3.16 1.03 -1.26 -5.11 118.70 115.04 2crg s GLU 9 Ca 0.67 -0.83 -0.04 0.00 0.03 0.00 0.00 54.97 54.80 2crg s GLU 9 Cb -0.22 -2.82 -0.03 0.00 -0.80 0.00 0.00 34.13 30.26 2crg s GLU 9 CO 0.61 0.42 0.02 -1.21 -1.33 0.00 0.00 175.26 173.77 2crg s GLU 10 N -3.95 3.46 -0.21 -4.83 2.02 -1.26 -5.10 118.70 108.83 2crg s GLU 10 Ca 0.34 -0.40 -0.03 0.00 0.02 0.00 0.00 54.97 54.90 2crg s GLU 10 Cb -0.09 -2.96 -0.01 0.00 0.10 0.00 0.00 34.13 31.17 2crg s GLU 10 CO 0.28 0.48 -0.06 -1.58 0.02 0.00 0.00 175.26 174.40 2crg s TRP 11 N -0.24 2.94 0.59 1.61 0.52 -1.26 -5.10 118.94 118.00 2crg s TRP 11 Ca 0.06 -0.88 -0.19 0.00 0.02 0.00 0.00 56.10 55.11 2crg s TRP 11 Cb -0.12 -2.06 -0.04 0.00 -1.15 0.00 0.00 33.47 30.10 2crg s TRP 11 CO 0.02 -0.49 1.24 -1.12 0.02 0.00 0.00 176.95 176.62 2crg s SER 12 N 1.29 5.18 0.20 2.95 0.01 -1.26 -4.68 113.70 117.40 2crg s SER 12 Ca 0.03 2.46 -0.22 0.00 1.31 0.00 0.00 55.95 59.54 2crg s SER 12 Cb -0.14 -2.61 0.13 0.00 0.21 0.00 0.00 66.02 63.61 2crg s SER 12 CO -0.02 -1.60 1.54 0.00 0.41 0.00 0.00 173.24 173.56 2crg n ALA 13 N -1.49 -0.30 -0.13 1.44 0.00 -1.26 -0.03 120.51 118.74 2crg n ALA 13 Ca 0.13 0.94 -0.07 0.00 0.00 0.00 0.00 53.44 54.44 2crg n ALA 13 Cb 0.49 -0.34 0.01 0.00 0.00 0.00 0.00 19.45 19.61 2crg n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2crg h SER 14 N 0.00 0.42 -0.32 0.00 0.87 -2.01 -2.84 113.55 109.67 2crg h SER 14 Ca 0.28 -0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.91 2crg h SER 14 Cb 0.53 -0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 62.31 2crg h SER 14 CO -0.97 0.31 -0.24 -0.33 -0.53 0.00 0.00 176.83 175.07 2crg h GLU 15 N 0.51 -0.20 -0.02 2.24 5.08 -0.79 -1.92 114.58 119.49 2crg h GLU 15 Ca 0.16 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2crg h GLU 15 Cb -0.02 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2crg h GLU 15 CO -0.06 -0.13 -0.22 0.00 -1.00 0.00 0.00 179.01 177.61 2crg h ALA 16 N 0.92 -0.65 -0.78 3.43 0.00 -0.82 -2.73 119.26 118.63 2crg h ALA 16 Ca 0.16 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2crg h ALA 16 Cb 0.46 0.72 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 2crg h ALA 16 CO -0.45 -0.72 -0.55 0.00 0.00 0.00 0.00 179.25 177.53 2crg n LEU 18 N -5.17 -0.42 -0.28 0.00 4.77 -0.74 -0.65 117.00 114.51 2crg n LEU 18 Ca 0.00 1.08 -0.07 0.00 -0.03 0.00 0.00 56.01 56.99 2crg n LEU 18 Cb 0.27 -0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2crg n LEU 18 CO -0.10 -0.76 0.41 0.33 -1.33 0.00 0.00 177.39 175.93 2crg n PHE 19 N -3.91 -0.29 -0.33 -1.77 7.35 -0.67 0.15 117.46 117.99 2crg n PHE 19 Ca 0.01 0.83 0.23 0.00 -0.76 0.00 0.00 57.45 57.76 2crg n PHE 19 Cb 0.10 -0.54 0.47 0.00 0.35 0.00 0.00 39.48 39.86 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 0.31 -0.11 -4.13 3.07 -0.79 0.32 114.58 113.26 2crg h GLU 20 Ca 0.11 -0.02 -0.17 0.00 -0.50 0.00 0.00 59.36 58.78 2crg h GLU 20 Cb 0.27 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 28.12 2crg h GLU 20 CO -0.62 0.21 -0.59 0.93 -1.40 0.00 0.00 179.01 177.54 2crg h GLU 21 N 0.32 0.59 -0.92 2.33 4.39 0.19 -2.90 114.58 118.58 2crg h GLU 21 Ca 0.73 -0.49 0.15 0.00 0.34 0.00 0.00 59.36 60.09 2crg h GLU 21 Cb 1.64 0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 30.30 2crg h GLU 21 CO -0.61 1.11 0.52 0.00 -1.16 0.00 0.00 179.01 178.87 2crg h ALA 22 N 0.48 1.43 0.56 3.43 0.00 0.35 0.29 119.26 125.81 2crg h ALA 22 Ca -0.04 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2crg h ALA 22 Cb 1.23 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.96 2crg h ALA 22 CO 0.12 -0.02 -0.27 1.25 0.00 0.00 0.00 179.25 180.33 2crg h LEU 23 N 0.73 -0.64 -1.29 0.00 5.85 -1.30 0.44 115.31 119.10 2crg h LEU 23 Ca 0.50 0.02 0.20 0.00 0.84 0.00 0.00 57.88 59.44 2crg h LEU 23 Cb 0.70 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.81 2crg h LEU 23 CO -0.35 -0.25 0.61 1.05 -0.34 0.00 0.00 178.44 179.16 2crg h GLU 24 N -1.17 0.55 0.11 1.25 4.11 -1.28 1.45 114.58 119.62 2crg h GLU 24 Ca -0.08 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.31 2crg h GLU 24 Cb 0.58 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2crg h GLU 24 CO 0.13 0.37 -0.05 -0.22 0.07 0.00 0.00 179.01 179.30 2crg h LYS 25 N 0.57 -0.15 0.00 1.06 3.64 -0.42 -3.42 116.57 117.85 2crg h LYS 25 Ca 0.52 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 2crg h LYS 25 Cb 1.06 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2crg h LYS 25 CO -0.27 -0.10 -0.15 1.88 -2.27 0.00 0.00 179.45 178.54 2crg h TYR 26 N -0.70 0.00 0.00 1.91 0.05 0.09 -3.51 116.97 114.81 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 0.01 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.53 2crg n GLY 27 N 1.76 0.11 2.03 3.88 0.00 0.50 -4.74 105.19 108.72 2crg n GLY 27 Ca -0.02 -1.89 -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 -3.51 1.61 4.76 -1.26 -4.50 118.16 116.74 2crg n LYS 28 Ca 0.00 -0.68 -0.27 0.00 -2.87 0.00 0.00 58.31 54.49 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 -0.25 -1.37 0.00 0.00 177.40 175.78 2crg n ASP 29 N 2.46 1.50 0.32 4.39 9.92 -1.26 -4.93 116.55 128.96 2crg n ASP 29 Ca 0.29 -2.89 0.20 0.00 -0.53 0.00 0.00 54.79 51.86 2crg n ASP 29 Cb 0.68 -0.65 1.09 0.00 -0.64 0.00 0.00 41.12 41.60 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 4.95 0.00 0.51 1.24 0.04 -1.94 -2.70 116.94 119.04 2crg h PHE 30 Ca 0.18 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.93 2crg h PHE 30 Cb 0.81 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.96 2crg h PHE 30 CO 0.50 0.00 -0.24 -2.95 -0.60 0.00 0.00 178.31 175.01 2crg h ASN 31 N 0.00 -0.58 -0.95 2.17 7.08 -1.93 -0.59 115.58 120.77 2crg h ASN 31 Ca 0.01 0.02 0.18 0.00 -3.08 0.00 0.00 56.30 53.42 2crg h ASN 31 Cb 0.17 0.15 -0.08 0.00 -2.08 0.00 0.00 38.32 36.48 2crg h ASN 31 CO -0.00 -0.22 0.60 -0.78 -2.08 0.00 0.00 177.43 174.95 2crg h ASP 32 N -1.08 0.67 0.06 6.14 1.82 -1.92 -0.42 116.42 121.70 2crg h ASP 32 Ca -0.07 0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2crg h ASP 32 Cb 0.52 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.47 2crg h ASP 32 CO 0.11 0.28 -0.03 0.40 -1.61 0.00 0.00 179.24 178.40 2crg h ILE 33 N 0.68 0.00 -0.13 2.25 2.04 -1.52 -3.00 117.51 117.84 2crg h ILE 33 Ca 0.51 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 66.36 2crg h ILE 33 Cb 0.89 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2crg h ILE 33 CO -0.27 0.00 0.66 -0.09 0.00 0.00 0.00 178.15 178.45 2crg h ARG 34 N -0.13 0.00 0.32 2.37 2.43 -0.96 0.13 114.38 118.55 2crg h ARG 34 Ca -0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 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 0.01 0.00 -0.16 0.37 -1.51 0.00 0.00 179.97 178.69 2crg h GLN 35 N 0.00 -0.42 0.00 0.20 -0.00 -1.01 -2.78 115.11 111.10 2crg h GLN 35 Ca 0.06 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.74 2crg h GLN 35 Cb 1.39 0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.96 2crg h GLN 35 CO -0.00 -0.28 -0.76 -0.25 0.00 0.00 0.00 178.83 177.54 2crg n ASP 36 N -3.88 1.47 -0.25 -0.69 8.00 -0.50 -4.06 116.55 116.64 2crg n ASP 36 Ca -0.05 0.25 -0.07 0.00 0.71 0.00 0.00 54.79 55.63 2crg n ASP 36 Cb 0.17 -0.68 -0.06 0.00 -0.02 0.00 0.00 41.12 40.53 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 -3.98 -0.26 -3.61 1.24 3.01 0.35 -3.73 117.46 110.47 2crg n PHE 37 Ca -0.11 0.75 -0.29 0.00 1.01 0.00 0.00 57.45 58.81 2crg n PHE 37 Cb 0.39 -0.52 -0.13 0.00 -0.01 0.00 0.00 39.48 39.21 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 -8.93 1.72 0.20 4.37 1.43 -0.86 -4.99 118.68 111.62 2crg s LEU 38 Ca -0.07 -2.06 -0.04 0.00 -1.03 0.00 0.00 54.13 50.92 2crg s LEU 38 Cb 0.07 -0.69 0.13 0.00 0.03 0.00 0.00 46.19 45.73 2crg s LEU 38 CO 0.37 -0.34 1.55 1.55 0.23 0.00 0.00 176.35 179.71 2crg h PRO 39 N 7.37 0.67 -0.11 1.29 0.13 -1.57 -3.25 132.00 136.53 2crg h PRO 39 Ca -0.04 -0.35 -0.10 0.00 -0.87 0.00 0.00 66.00 64.63 2crg h PRO 39 Cb 0.97 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2crg h PRO 39 CO 0.40 0.96 -0.33 0.11 -0.23 0.00 0.00 178.00 178.91 2crg h TRP 40 N 0.54 0.54 -3.29 1.56 0.09 -1.92 -3.46 115.95 110.02 2crg h TRP 40 Ca 0.04 -0.22 -0.57 0.00 0.09 0.00 0.00 58.89 58.24 2crg h TRP 40 Cb 0.95 -0.09 0.18 0.00 0.08 0.00 0.00 29.16 30.27 2crg h TRP 40 CO 0.04 0.94 -0.23 1.63 0.09 0.00 0.00 178.44 180.91 2crg n LYS 41 N -4.39 0.49 -2.22 0.12 4.76 -1.22 -4.99 118.16 110.71 2crg n LYS 41 Ca -0.07 0.21 -0.27 0.00 -2.87 0.00 0.00 58.31 55.30 2crg n LYS 41 Cb 0.50 -1.91 0.15 0.00 -1.84 0.00 0.00 35.03 31.93 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 -1.38 3.61 -0.06 4.39 0.01 -1.26 -4.95 113.70 114.07 2crg s SER 42 Ca 0.69 -0.02 -0.15 0.00 1.31 0.00 0.00 55.95 57.78 2crg s SER 42 Cb -0.39 -0.15 -0.11 0.00 0.21 0.00 0.00 66.02 65.59 2crg s SER 42 CO 0.54 -2.38 0.62 0.25 0.41 0.00 0.00 173.24 172.67 2crg h LEU 43 N -1.18 -0.24 -0.06 2.44 7.12 -1.94 -3.27 115.31 118.19 2crg h LEU 43 Ca -0.41 -0.19 -0.04 0.00 0.13 0.00 0.00 57.88 57.36 2crg h LEU 43 Cb 1.25 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.44 2crg h LEU 43 CO 0.38 0.29 -0.14 0.74 -0.13 0.00 0.00 178.44 179.59 2crg h THR 44 N -0.99 1.43 -0.89 1.05 2.02 -1.97 -3.29 112.91 110.27 2crg h THR 44 Ca -0.03 -1.48 0.14 0.00 0.77 0.00 0.00 66.41 65.82 2crg h THR 44 Cb 0.42 2.26 -0.15 0.00 -1.74 0.00 0.00 68.15 68.94 2crg h THR 44 CO 0.05 0.41 -0.33 -1.20 0.37 0.00 0.00 175.52 174.82 2crg n SER 45 N -4.62 -0.53 -0.12 4.18 7.64 -1.26 0.23 113.62 119.13 2crg n SER 45 Ca -0.08 1.55 0.09 0.00 1.01 0.00 0.00 58.87 61.44 2crg n SER 45 Cb 0.38 -0.37 0.43 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.96 0.05 0.44 2.04 -1.63 -2.44 117.51 116.93 2crg h ILE 46 Ca 0.33 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 2crg h ILE 46 Cb 0.55 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2crg h ILE 46 CO -0.89 0.10 -0.02 0.40 0.00 0.00 0.00 178.15 177.74 2crg h ILE 47 N 0.57 1.18 -0.71 -0.67 2.04 0.29 -3.17 117.51 117.03 2crg h ILE 47 Ca 0.29 -0.76 0.18 0.00 1.00 0.00 0.00 64.86 65.57 2crg h ILE 47 Cb 0.39 1.68 -0.13 0.00 -0.74 0.00 0.00 36.82 38.01 2crg h ILE 47 CO -0.09 0.19 -0.04 -0.62 0.00 0.00 0.00 178.15 177.59 2crg n GLU 48 N -4.96 -0.06 -0.21 2.37 1.02 -0.35 0.24 120.64 118.69 2crg n GLU 48 Ca -0.08 1.07 -0.01 0.00 -0.02 0.00 0.00 57.16 58.12 2crg n GLU 48 Cb 0.19 -1.67 0.10 0.00 -0.02 0.00 0.00 31.44 30.04 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 0.55 -0.91 -0.32 5.03 -1.61 -2.45 116.97 117.26 2crg h TYR 49 Ca 0.41 0.03 0.18 0.00 2.58 0.00 0.00 58.73 61.92 2crg h TYR 49 Cb 0.79 -0.15 -0.17 0.00 1.55 0.00 0.00 36.73 38.74 2crg h TYR 49 CO -0.41 0.22 -0.25 0.98 -1.32 0.00 0.00 178.16 177.38 2crg n TYR 50 N -4.88 0.28 0.46 -3.82 9.36 0.65 -0.59 117.16 118.62 2crg n TYR 50 Ca 0.08 1.11 -0.20 0.00 3.32 0.00 0.00 57.90 62.22 2crg n TYR 50 Cb 0.22 -1.00 -0.10 0.00 -0.63 0.00 0.00 39.34 37.83 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 -1.19 -0.73 2.98 0.05 -1.48 0.40 116.97 117.00 2crg h TYR 51 Ca 0.42 -0.02 0.14 0.00 0.05 0.00 0.00 58.73 59.31 2crg h TYR 51 Cb 0.64 0.41 -0.14 0.00 1.01 0.00 0.00 36.73 38.65 2crg h TYR 51 CO -0.72 -0.71 -0.24 1.98 -1.05 0.00 0.00 178.16 177.43 2crg h MET 52 N -1.21 -0.04 -0.54 4.88 4.05 -0.84 0.13 114.93 121.36 2crg h MET 52 Ca -0.12 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.22 2crg h MET 52 Cb 0.94 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.73 2crg h MET 52 CO 0.16 -0.03 -0.02 2.35 0.23 0.00 0.00 176.91 179.61 2crg h TRP 53 N -0.04 1.05 -0.91 1.39 7.01 -0.88 0.19 115.95 123.76 2crg h TRP 53 Ca 0.33 -0.19 0.22 0.00 2.11 0.00 0.00 58.89 61.36 2crg h TRP 53 Cb 0.55 -0.27 -0.12 0.00 -2.10 0.00 0.00 29.16 27.22 2crg h TRP 53 CO -0.62 0.96 0.43 -0.22 -2.79 0.00 0.00 178.44 176.20 2crg h LYS 54 N 0.84 0.42 0.13 2.65 3.64 0.25 0.72 116.57 125.22 2crg h LYS 54 Ca 0.15 -0.03 -0.33 0.00 -1.27 0.00 0.00 60.65 59.17 2crg h LYS 54 Cb 0.56 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2crg h LYS 54 CO 0.03 0.28 -1.76 1.79 -2.27 0.00 0.00 179.45 177.52 2crg h THR 55 N 0.44 0.80 0.67 1.00 1.35 -1.19 -3.40 112.91 112.58 2crg h THR 55 Ca 0.57 -2.37 -0.03 0.00 -0.55 0.00 0.00 66.41 64.02 2crg h THR 55 Cb 1.07 2.58 0.01 0.00 -1.73 0.00 0.00 68.15 70.07 2crg h THR 55 CO -0.51 0.80 -0.32 0.74 -0.25 0.00 0.00 175.52 175.97 2crg h THR 56 N -0.10 0.00 -6.23 6.82 2.02 0.06 -3.47 112.91 112.01 2crg h THR 56 Ca -0.38 -0.08 -0.46 0.00 0.77 0.00 0.00 66.41 66.26 2crg h THR 56 Cb 1.92 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 2crg h THR 56 CO 0.07 0.00 -0.76 0.47 0.37 0.00 0.00 175.52 175.67 2crg n ASP 57 N -4.64 -4.36 -0.04 4.18 8.00 0.25 -4.88 116.55 115.07 2crg n ASP 57 Ca -0.11 -0.77 -0.08 0.00 0.71 0.00 0.00 54.79 54.54 2crg n ASP 57 Cb 0.35 -4.01 -0.02 0.00 -0.02 0.00 0.00 41.12 37.42 2crg n ASP 57 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2crg h ARG 58 N -2.11 -0.23 -3.80 -1.24 9.65 -1.91 -3.36 114.38 111.38 2crg h ARG 58 Ca -0.58 0.02 -0.60 0.00 -1.10 0.00 0.00 59.98 57.71 2crg h ARG 58 Cb 1.37 0.05 -0.40 0.00 -1.39 0.00 0.00 29.97 29.61 2crg h ARG 58 CO 0.65 -0.15 -0.75 -0.47 2.80 0.00 0.00 179.97 182.04 2crg s TYR 59 N -6.09 2.10 -0.10 2.20 5.04 -1.26 -5.10 117.35 114.14 2crg s TYR 59 Ca -0.15 -1.96 -0.05 0.00 -2.44 0.00 0.00 57.07 52.48 2crg s TYR 59 Cb 0.12 -1.92 0.04 0.00 0.35 0.00 0.00 41.96 40.55 2crg s TYR 59 CO 0.68 -0.88 0.24 0.54 -1.34 0.00 0.00 175.55 174.78 2crg s VAL 60 N 1.48 -0.04 0.37 3.14 0.11 -1.26 -5.02 120.40 119.19 2crg s VAL 60 Ca 0.09 0.14 0.25 0.00 -2.93 0.00 0.00 61.98 59.53 2crg s VAL 60 Cb -0.18 -0.36 0.40 0.00 -1.53 0.00 0.00 36.38 34.71 2crg s VAL 60 CO -0.21 0.06 1.45 0.00 -3.33 0.00 0.00 175.10 173.07 2crg n GLN 61 N 4.16 -0.04 -1.72 1.54 10.64 -1.26 -4.16 117.38 126.54 2crg n GLN 61 Ca -0.25 1.21 -0.43 0.00 -1.83 0.00 0.00 57.00 55.70 2crg n GLN 61 Cb 0.53 -2.28 -0.03 0.00 -0.86 0.00 0.00 30.24 27.60 2crg n GLN 61 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2crg s GLN 62 N -5.25 3.22 -0.87 2.61 2.00 -1.26 -4.92 119.66 115.19 2crg s GLN 62 Ca -0.08 1.88 -0.13 0.00 -2.00 0.00 0.00 55.36 55.03 2crg s GLN 62 Cb 0.30 -4.32 0.23 0.00 0.80 0.00 0.00 33.01 30.02 2crg s GLN 62 CO 0.74 -2.00 0.81 0.15 -0.50 0.00 0.00 175.29 174.50 2crg s LYS 63 N 6.09 3.68 -0.75 1.67 -0.14 -1.26 -4.96 119.74 124.07 2crg s LYS 63 Ca 0.94 -2.58 0.01 0.00 -1.36 0.00 0.00 55.97 52.98 2crg s LYS 63 Cb -0.30 -4.44 0.18 0.00 -1.68 0.00 0.00 37.83 31.59 2crg s LYS 63 CO 0.35 -1.28 0.58 1.03 -0.76 0.00 0.00 175.35 175.26 2crg s ARG 64 N -0.05 2.76 -0.19 1.68 0.52 -1.26 -5.05 118.95 117.36 2crg s ARG 64 Ca 0.20 -3.10 -0.03 0.00 -0.52 0.00 0.00 55.73 52.27 2crg s ARG 64 Cb -0.10 -3.69 -0.02 0.00 0.52 0.00 0.00 34.95 31.67 2crg s ARG 64 CO -0.09 -1.24 -0.05 0.45 0.02 0.00 0.00 175.30 174.39 2crg s SER 65 N -0.42 4.42 0.00 0.23 0.15 -1.26 -5.04 113.70 111.77 2crg s SER 65 Ca 0.24 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2crg s SER 65 Cb -0.11 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 2crg s SER 65 CO -0.11 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.01 2crg n GLY 66 N 4.22 0.13 3.55 9.45 0.00 -1.26 -4.85 105.19 116.43 2crg n GLY 66 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 2.61 0.36 1.61 0.04 -1.26 -4.95 135.00 133.41 2crg s PRO 67 Ca 0.00 0.39 0.07 0.00 0.04 0.00 0.00 61.00 61.50 2crg s PRO 67 Cb 0.00 -4.55 -0.07 0.00 0.04 0.00 0.00 34.50 29.92 2crg s PRO 67 CO 0.00 -2.89 -0.03 -1.54 0.04 0.00 0.00 177.00 172.58 2crg s SER 68 N 8.07 3.51 0.15 6.66 1.04 -1.26 -5.08 113.70 126.80 2crg s SER 68 Ca 0.68 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2crg s SER 68 Cb -0.11 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.69 2crg s SER 68 CO 0.15 -0.36 0.00 -1.20 0.98 0.00 0.00 173.24 172.81 2crg n SER 69 N -0.82 0.20 0.00 7.02 7.64 -1.26 -5.28 113.62 121.11 2crg n SER 69 Ca -0.05 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2crg n SER 69 Cb 0.65 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 2crg n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64