#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3c n LYS 2 N 0.00 -0.61 -4.03 0.03 5.02 -1.26 -5.01 118.16 112.30 2h3c n LYS 2 Ca 0.00 -0.13 -0.31 0.00 -2.02 0.00 0.00 58.31 55.85 2h3c n LYS 2 Cb 0.00 -2.08 -0.16 0.00 -0.02 0.00 0.00 35.03 32.77 2h3c n LYS 2 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2h3c s GLN 3 N -4.08 2.33 -0.34 1.97 2.00 -1.26 -5.09 119.66 115.21 2h3c s GLN 3 Ca 0.62 -0.69 -0.29 0.00 -2.00 0.00 0.00 55.36 53.00 2h3c s GLN 3 Cb -0.22 -2.27 0.02 0.00 0.80 0.00 0.00 33.01 31.34 2h3c s GLN 3 CO 0.63 -0.29 1.14 0.50 -0.50 0.00 0.00 175.29 176.77 2h3c s ARG 4 N 1.43 3.99 -0.20 1.67 3.52 -1.26 -4.99 118.95 123.10 2h3c s ARG 4 Ca 0.03 1.05 -0.04 0.00 -0.13 0.00 0.00 55.73 56.64 2h3c s ARG 4 Cb -0.14 -3.79 -0.02 0.00 -1.56 0.00 0.00 34.95 29.44 2h3c s ARG 4 CO -0.10 -1.01 -0.02 0.96 -0.81 0.00 0.00 175.30 174.31 2h3c s ILE 5 N 3.92 3.67 -0.07 4.11 -4.36 -1.26 -5.09 121.20 122.12 2h3c s ILE 5 Ca 0.48 -0.40 0.01 0.00 -0.26 0.00 0.00 60.65 60.48 2h3c s ILE 5 Cb -0.13 -2.66 0.02 0.00 1.25 0.00 0.00 42.46 40.95 2h3c s ILE 5 CO 0.19 0.43 -0.07 0.28 0.24 0.00 0.00 174.94 176.01 2h3c s THR 6 N 1.14 0.85 -0.43 8.37 -1.32 -1.26 -5.10 115.64 117.90 2h3c s THR 6 Ca 0.02 -0.26 -0.13 0.00 -1.21 0.00 0.00 61.69 60.11 2h3c s THR 6 Cb -0.15 -0.85 0.05 0.00 -1.51 0.00 0.00 72.50 70.05 2h3c s THR 6 CO 0.00 0.31 0.31 0.54 -2.21 0.00 0.00 174.62 173.58 2h3c s VAL 7 N 1.17 4.92 -0.93 5.08 0.11 -1.26 -5.01 120.40 124.47 2h3c s VAL 7 Ca -0.06 -1.00 -0.24 0.00 -2.93 0.00 0.00 61.98 57.75 2h3c s VAL 7 Cb -0.14 -3.87 -0.04 0.00 -1.53 0.00 0.00 36.38 30.80 2h3c s VAL 7 CO -0.02 -0.44 1.89 0.42 -3.33 0.00 0.00 175.10 173.63 2h3c s THR 8 N 1.59 3.51 0.00 5.04 -4.23 -1.26 -4.92 115.64 115.37 2h3c s THR 8 Ca 0.04 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 2h3c s THR 8 Cb -0.22 -4.15 0.00 0.00 1.34 0.00 0.00 72.50 69.47 2h3c s THR 8 CO 0.07 -1.06 0.00 1.33 -0.54 0.00 0.00 174.62 174.42 2h3c n VAL 9 N 7.76 0.00 -0.06 2.29 0.24 -1.26 -4.74 118.33 122.56 2h3c n VAL 9 Ca 0.40 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.70 2h3c n VAL 9 Cb 0.47 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 2h3c n VAL 9 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2h3c n ASP 10 N 0.00 0.00 0.09 -1.34 2.03 -1.26 -4.74 116.55 111.32 2h3c n ASP 10 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2h3c n ASP 10 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2h3c n ASP 10 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2h3c n SER 11 N 0.00 0.57 0.00 1.67 2.88 -1.26 -5.01 113.62 112.47 2h3c n SER 11 Ca 0.00 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2h3c n SER 11 Cb 0.00 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 2h3c n SER 11 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2h3c n ASP 12 N -3.47 0.00 -1.58 -3.46 9.92 -1.26 -4.91 116.55 111.79 2h3c n ASP 12 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 2h3c n ASP 12 Cb 0.01 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.51 2h3c n ASP 12 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2h3c n SER 13 N 0.00 -0.32 0.03 -2.24 7.64 -1.26 -5.03 113.62 112.43 2h3c n SER 13 Ca 0.00 -1.14 -0.20 0.00 1.01 0.00 0.00 58.87 58.54 2h3c n SER 13 Cb 0.00 0.14 -0.14 0.00 -1.01 0.00 0.00 64.21 63.20 2h3c n SER 13 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2h3c h TYR 14 N 0.19 0.46 -0.83 1.43 5.03 -1.98 -3.39 116.97 117.88 2h3c h TYR 14 Ca -0.11 -0.34 0.18 0.00 2.58 0.00 0.00 58.73 61.05 2h3c h TYR 14 Cb 1.01 -0.02 -0.11 0.00 1.55 0.00 0.00 36.73 39.16 2h3c h TYR 14 CO -0.17 1.36 0.33 1.96 -1.32 0.00 0.00 178.16 180.31 2h3c h GLN 15 N -0.42 0.39 -0.71 1.82 4.20 -1.98 -0.39 115.11 118.02 2h3c h GLN 15 Ca -0.18 -0.02 0.19 0.00 0.06 0.00 0.00 58.65 58.69 2h3c h GLN 15 Cb 1.62 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 29.28 2h3c h GLN 15 CO 0.10 0.26 0.50 1.25 -0.67 0.00 0.00 178.83 180.27 2h3c h LEU 16 N 0.40 0.09 0.02 1.46 6.46 -1.99 1.02 115.31 122.77 2h3c h LEU 16 Ca 0.49 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 58.26 2h3c h LEU 16 Cb 0.86 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 2h3c h LEU 16 CO -0.49 0.04 -0.01 -0.07 -0.62 0.00 0.00 178.44 177.29 2h3c h LEU 17 N 0.09 -0.02 -1.75 2.25 3.38 -1.31 -3.28 115.31 114.66 2h3c h LEU 17 Ca 0.34 -0.73 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 2h3c h LEU 17 Cb 1.23 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 2h3c h LEU 17 CO -0.03 0.79 -0.15 0.07 0.09 0.00 0.00 178.44 179.21 2h3c h LYS 18 N -0.92 0.00 -0.59 1.13 2.10 -1.19 -2.25 116.57 114.85 2h3c h LYS 18 Ca -0.00 0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.80 2h3c h LYS 18 Cb 0.75 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.05 2h3c h LYS 18 CO 0.00 0.15 0.42 0.00 -2.00 0.00 0.00 179.45 178.03 2h3c h ALA 19 N 1.85 2.42 0.15 0.07 0.00 0.10 -1.27 119.26 122.57 2h3c h ALA 19 Ca -0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.53 2h3c h ALA 19 Cb 0.41 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2h3c h ALA 19 CO 0.02 -0.58 -1.91 1.88 0.00 0.00 0.00 179.25 178.66 2h3c h TYR 20 N 0.10 0.56 0.00 0.00 0.05 -1.52 -3.41 116.97 112.75 2h3c h TYR 20 Ca 0.28 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.66 2h3c h TYR 20 Cb 0.99 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.70 2h3c h TYR 20 CO -0.00 1.74 0.00 -3.47 -1.05 0.00 0.00 178.16 175.38 2h3c n ASP 21 N -3.51 0.00 0.00 3.88 2.03 -0.48 -4.48 116.55 113.98 2h3c n ASP 21 Ca -0.29 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.02 2h3c n ASP 21 Cb 1.06 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.46 2h3c n ASP 21 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2h3c n VAL 22 N 0.00 0.00 0.00 5.18 0.31 -1.17 -5.02 118.33 117.63 2h3c n VAL 22 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2h3c n VAL 22 Cb 0.00 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 2h3c n VAL 22 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2h3c n ASN 23 N -2.54 0.00 0.00 4.52 4.13 -1.22 -3.57 115.26 116.58 2h3c n ASN 23 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2h3c n ASN 23 Cb 0.24 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.48 2h3c n ASN 23 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2h3c n ILE 24 N 0.00 0.00 -0.23 2.41 -6.64 -1.26 -4.61 119.36 109.03 2h3c n ILE 24 Ca 0.00 0.00 -0.06 0.00 -1.77 0.00 0.00 62.75 60.92 2h3c n ILE 24 Cb 0.00 1.66 -0.06 0.00 -1.44 0.00 0.00 39.64 39.81 2h3c n ILE 24 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 2h3c n SER 25 N 0.00 -0.58 0.09 7.28 2.88 -1.23 0.12 113.62 122.18 2h3c n SER 25 Ca 0.00 1.42 -0.02 0.00 -1.33 0.00 0.00 58.87 58.94 2h3c n SER 25 Cb 0.24 -0.35 -0.04 0.00 -0.75 0.00 0.00 64.21 63.31 2h3c n SER 25 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2h3c h GLY 26 N 0.00 0.00 0.76 0.46 0.00 -1.92 -3.27 103.07 99.10 2h3c h GLY 26 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 2h3c h GLY 26 CO -0.52 0.00 -0.36 -2.00 0.00 0.00 0.00 176.54 173.66 2h3c h LEU 27 N 0.00 -0.86 0.00 3.11 5.85 -1.44 -0.21 115.31 121.76 2h3c h LEU 27 Ca -0.03 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2h3c h LEU 27 Cb 1.57 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.82 2h3c h LEU 27 CO 0.09 -0.56 0.00 0.52 -0.34 0.00 0.00 178.44 178.14 2h3c n VAL 28 N -5.03 0.00 -0.31 1.05 0.31 0.32 0.94 118.33 115.62 2h3c n VAL 28 Ca -0.13 1.48 0.14 0.00 -0.01 0.00 0.00 64.34 65.82 2h3c n VAL 28 Cb 0.40 -2.28 0.32 0.00 -0.91 0.00 0.00 33.84 31.37 2h3c n VAL 28 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2h3c h SER 29 N 0.00 0.34 -0.04 4.52 4.64 -1.68 2.33 113.55 123.67 2h3c h SER 29 Ca 0.00 0.16 -0.11 0.00 -0.47 0.00 0.00 61.79 61.37 2h3c h SER 29 Cb 0.00 0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2h3c h SER 29 CO 0.00 -0.01 -0.39 0.00 -0.87 0.00 0.00 176.83 175.55 2h3c h THR 30 N 0.39 1.45 0.00 2.95 1.03 -0.86 -3.09 112.91 114.78 2h3c h THR 30 Ca 0.57 -1.88 -0.07 0.00 -0.01 0.00 0.00 66.41 65.02 2h3c h THR 30 Cb 1.10 2.49 -0.01 0.00 -1.07 0.00 0.00 68.15 70.66 2h3c h THR 30 CO -0.54 0.54 -0.34 0.00 -0.01 0.00 0.00 175.52 175.17 2h3c h THR 31 N -0.20 1.03 0.34 0.00 1.03 0.16 -3.16 112.91 112.11 2h3c h THR 31 Ca -0.04 -1.24 -0.00 0.00 -0.01 0.00 0.00 66.41 65.12 2h3c h THR 31 Cb 1.08 1.71 -0.02 0.00 -1.07 0.00 0.00 68.15 69.86 2h3c h THR 31 CO 0.08 0.33 -0.30 0.24 -0.01 0.00 0.00 175.52 175.86 2h3c h MET 32 N 0.00 -0.63 -0.09 0.00 2.86 0.39 0.30 114.93 117.76 2h3c h MET 32 Ca -0.00 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 2h3c h MET 32 Cb 0.68 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.43 2h3c h MET 32 CO 0.04 -0.42 -0.23 0.37 1.06 0.00 0.00 176.91 177.73 2h3c h GLN 33 N -0.66 -0.30 -0.06 1.72 4.15 -1.51 2.36 115.11 120.81 2h3c h GLN 33 Ca -0.02 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.44 2h3c h GLN 33 Cb 0.59 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.32 2h3c h GLN 33 CO -0.03 -0.20 -0.07 -0.91 -1.93 0.00 0.00 178.83 175.68 2h3c h ASN 34 N -0.31 -0.22 0.40 -0.69 2.35 -1.52 0.83 115.58 116.41 2h3c h ASN 34 Ca 0.09 0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.79 2h3c h ASN 34 Cb 0.44 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 2h3c h ASN 34 CO -0.27 -0.10 -0.42 -0.33 -1.65 0.00 0.00 177.43 174.66 2h3c h GLU 35 N -0.10 0.03 -0.38 0.81 4.39 -0.01 0.74 114.58 120.07 2h3c h GLU 35 Ca 0.05 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 2h3c h GLU 35 Cb 0.17 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2h3c h GLU 35 CO -0.12 0.44 -0.06 0.00 -1.16 0.00 0.00 179.01 178.11 2h3c h ALA 36 N 1.56 0.52 0.03 3.43 0.00 0.50 1.04 119.26 126.34 2h3c h ALA 36 Ca -0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2h3c h ALA 36 Cb 0.75 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2h3c h ALA 36 CO 0.06 0.35 -0.01 0.00 0.00 0.00 0.00 179.25 179.64 2h3c h ARG 37 N 0.52 -0.03 0.03 0.00 2.47 0.92 -3.38 114.38 114.90 2h3c h ARG 37 Ca 0.10 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.60 2h3c h ARG 37 Cb 0.56 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.87 2h3c h ARG 37 CO 0.03 0.48 -1.02 -0.09 0.56 0.00 0.00 179.97 179.93 2h3c h ARG 38 N -0.98 0.07 -2.96 0.04 9.65 0.41 -3.49 114.38 117.11 2h3c h ARG 38 Ca -0.00 -0.11 -0.05 0.00 -1.10 0.00 0.00 59.98 58.71 2h3c h ARG 38 Cb 0.53 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 2h3c h ARG 38 CO 0.01 1.02 -0.34 1.28 2.80 0.00 0.00 179.97 184.74 2h3c n LEU 39 N -3.43 -0.97 -0.00 3.80 4.77 0.36 -4.90 117.00 116.63 2h3c n LEU 39 Ca -0.02 0.05 0.04 0.00 -0.03 0.00 0.00 56.01 56.05 2h3c n LEU 39 Cb 0.93 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 2h3c n LEU 39 CO 0.48 -0.26 -0.50 0.54 -1.33 0.00 0.00 177.39 176.32 2h3c n ARG 40 N 0.43 0.88 -2.82 3.23 5.12 -1.26 -5.01 116.66 117.22 2h3c n ARG 40 Ca -0.01 -0.06 -0.21 0.00 -1.93 0.00 0.00 57.85 55.63 2h3c n ARG 40 Cb 0.18 -1.13 0.02 0.00 -1.16 0.00 0.00 32.46 30.36 2h3c n ARG 40 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2h3c n ALA 41 N -1.68 -0.86 -1.57 7.54 0.00 -1.26 -4.85 120.51 117.83 2h3c n ALA 41 Ca -0.01 0.23 -0.41 0.00 0.00 0.00 0.00 53.44 53.25 2h3c n ALA 41 Cb 0.19 -3.18 -0.04 0.00 0.00 0.00 0.00 19.45 16.42 2h3c n ALA 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2h3c n GLU 42 N -3.64 2.05 -0.92 0.00 1.02 -1.26 -4.83 120.64 113.06 2h3c n GLU 42 Ca -0.15 -2.28 -0.32 0.00 -0.02 0.00 0.00 57.16 54.40 2h3c n GLU 42 Cb 0.64 -3.19 -0.04 0.00 -0.02 0.00 0.00 31.44 28.83 2h3c n GLU 42 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2h3c n ARG 43 N 7.06 1.77 -0.77 3.49 1.85 -1.26 -4.80 116.66 124.00 2h3c n ARG 43 Ca 0.50 -1.63 -0.29 0.00 -1.00 0.00 0.00 57.85 55.43 2h3c n ARG 43 Cb 0.41 -2.67 -0.04 0.00 -1.05 0.00 0.00 32.46 29.12 2h3c n ARG 43 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 2h3c n TRP 44 N 5.78 1.26 -3.57 2.89 7.02 -1.26 -4.76 117.44 124.80 2h3c n TRP 44 Ca 0.46 -1.60 -0.08 0.00 -1.02 0.00 0.00 57.50 55.26 2h3c n TRP 44 Cb 0.26 -1.47 -0.04 0.00 -2.42 0.00 0.00 31.31 27.64 2h3c n TRP 44 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 2h3c s LYS 45 N 4.47 0.54 0.06 -0.99 0.00 -1.26 -5.08 119.74 117.48 2h3c s LYS 45 Ca 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 55.97 56.36 2h3c s LYS 45 Cb 0.11 0.25 0.00 0.00 0.00 0.00 0.00 37.83 38.19 2h3c s LYS 45 CO 0.06 -0.21 0.00 1.55 0.00 0.00 0.00 175.35 176.75 2h3c n VAL 46 N 0.27 0.00 -3.59 1.79 3.14 -1.26 -5.16 118.33 113.51 2h3c n VAL 46 Ca -0.07 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.24 2h3c n VAL 46 Cb 0.59 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.33 2h3c n VAL 46 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2h3c s GLU 47 N -2.00 0.43 -0.39 1.45 -6.30 -1.26 -5.13 118.70 105.50 2h3c s GLU 47 Ca 0.00 0.04 0.03 0.00 -2.50 0.00 0.00 54.97 52.54 2h3c s GLU 47 Cb 0.00 0.20 0.16 0.00 0.00 0.00 0.00 34.13 34.49 2h3c s GLU 47 CO 0.00 -0.15 0.36 1.21 0.02 0.00 0.00 175.26 176.70 2h3c s ASN 48 N -1.33 1.41 -0.08 -1.70 2.47 -1.26 -4.95 114.94 109.50 2h3c s ASN 48 Ca 0.03 -2.11 0.04 0.00 0.42 0.00 0.00 52.86 51.24 2h3c s ASN 48 Cb -0.01 0.21 -0.07 0.00 -1.45 0.00 0.00 41.25 39.93 2h3c s ASN 48 CO -0.03 -0.23 -0.03 0.00 -3.72 0.00 0.00 177.10 173.10 2h3c n GLN 49 N 3.73 1.59 -1.98 0.43 10.64 -1.26 -4.93 117.38 125.61 2h3c n GLN 49 Ca 0.17 0.02 -0.35 0.00 -1.83 0.00 0.00 57.00 55.01 2h3c n GLN 49 Cb 0.45 -1.18 -0.03 0.00 -0.86 0.00 0.00 30.24 28.61 2h3c n GLN 49 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2h3c s GLU 50 N -2.17 2.53 0.02 2.61 2.56 -1.26 -4.74 118.70 118.23 2h3c s GLU 50 Ca -0.08 0.52 0.00 0.00 0.00 0.00 0.00 54.97 55.42 2h3c s GLU 50 Cb 0.03 -4.55 0.00 0.00 2.00 0.00 0.00 34.13 31.61 2h3c s GLU 50 CO 0.25 -2.96 0.00 0.41 -0.56 0.00 0.00 175.26 172.40 2h3c n GLY 51 N 5.98 -1.76 1.78 -1.50 0.00 -1.26 -5.11 105.19 103.32 2h3c n GLY 51 Ca 0.26 -2.03 -0.01 0.00 0.00 0.00 0.00 46.02 44.24 2h3c n GLY 51 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2h3c n MET 52 N 0.00 -1.02 -3.73 1.61 2.81 -1.26 -5.10 117.12 110.42 2h3c n MET 52 Ca 0.00 1.16 -0.13 0.00 -1.81 0.00 0.00 57.70 56.92 2h3c n MET 52 Cb 0.00 -2.03 -0.14 0.00 -0.71 0.00 0.00 33.22 30.34 2h3c n MET 52 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2h3c s VAL 53 N -0.26 -0.06 0.00 2.03 -7.23 -1.26 -5.13 120.40 108.49 2h3c s VAL 53 Ca -0.04 0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.30 2h3c s VAL 53 Cb 0.00 -0.32 0.00 0.00 0.56 0.00 0.00 36.38 36.63 2h3c s VAL 53 CO 0.19 0.07 0.00 -0.62 -0.31 0.00 0.00 175.10 174.44 2h3c n GLU 54 N 4.29 1.44 -1.68 4.82 -0.58 -1.26 -5.09 120.64 122.59 2h3c n GLU 54 Ca -0.25 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.46 2h3c n GLU 54 Cb 0.52 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.42 2h3c n GLU 54 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 2h3c n VAL 55 N -0.64 0.00 -0.98 2.62 0.24 -1.26 -4.84 118.33 113.47 2h3c n VAL 55 Ca 0.00 -0.40 -0.32 0.00 -2.04 0.00 0.00 64.34 61.57 2h3c n VAL 55 Cb 0.00 0.65 -0.03 0.00 -1.47 0.00 0.00 33.84 32.99 2h3c n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2h3c n ALA 56 N -0.63 4.27 -2.00 2.33 0.00 -1.26 -4.45 120.51 118.77 2h3c n ALA 56 Ca -0.18 -2.69 -0.17 0.00 0.00 0.00 0.00 53.44 50.40 2h3c n ALA 56 Cb 0.70 -3.30 0.06 0.00 0.00 0.00 0.00 19.45 16.90 2h3c n ALA 56 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2h3c n ARG 57 N 5.45 3.10 -4.14 0.00 -4.01 -1.26 -4.88 116.66 110.91 2h3c n ARG 57 Ca 0.48 -3.95 -0.23 0.00 -1.04 0.00 0.00 57.85 53.11 2h3c n ARG 57 Cb 0.26 -2.09 -0.05 0.00 -3.04 0.00 0.00 32.46 27.54 2h3c n ARG 57 CO 0.00 0.00 0.00 0.12 -3.04 0.00 0.00 177.63 174.71 2h3c s PHE 58 N -3.50 3.04 -0.96 2.89 5.36 -1.26 -5.01 117.98 118.54 2h3c s PHE 58 Ca 0.47 -0.11 -0.22 0.00 -0.96 0.00 0.00 56.93 56.12 2h3c s PHE 58 Cb 0.40 -1.40 -0.12 0.00 -0.34 0.00 0.00 43.02 41.57 2h3c s PHE 58 CO 0.01 0.53 1.93 -0.89 -1.46 0.00 0.00 175.22 175.35 2h3c n ILE 59 N -0.86 2.04 -5.17 3.12 2.08 -1.26 -4.87 119.36 114.44 2h3c n ILE 59 Ca -0.08 -1.91 -0.31 0.00 0.56 0.00 0.00 62.75 61.01 2h3c n ILE 59 Cb 0.57 -2.29 -0.17 0.00 -0.75 0.00 0.00 39.64 37.00 2h3c n ILE 59 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2h3c s GLU 60 N 5.30 2.72 0.17 0.38 2.02 -1.26 -5.02 118.70 123.01 2h3c s GLU 60 Ca 0.60 -0.84 -0.07 0.00 0.02 0.00 0.00 54.97 54.68 2h3c s GLU 60 Cb 0.09 -2.15 0.05 0.00 0.10 0.00 0.00 34.13 32.22 2h3c s GLU 60 CO 0.11 0.24 1.50 1.98 0.02 0.00 0.00 175.26 179.11 2h3c h MET 61 N 6.49 0.75 -1.23 1.61 4.05 -2.06 -3.40 114.93 121.14 2h3c h MET 61 Ca -0.25 -0.43 -0.29 0.00 -0.28 0.00 0.00 59.70 58.45 2h3c h MET 61 Cb 1.21 0.03 -0.22 0.00 -0.80 0.00 0.00 31.60 31.82 2h3c h MET 61 CO 0.47 1.05 -0.65 -1.71 0.23 0.00 0.00 176.91 176.30 2h3c n ASN 62 N -4.02 -2.42 -4.61 1.39 5.15 -1.26 -5.12 115.26 104.37 2h3c n ASN 62 Ca -0.03 -2.84 -0.43 0.00 -0.60 0.00 0.00 54.58 50.69 2h3c n ASN 62 Cb 0.57 1.06 -0.03 0.00 -0.53 0.00 0.00 39.78 40.85 2h3c n ASN 62 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2h3c s GLY 63 N 0.10 0.87 -1.27 8.20 0.00 -1.26 -4.90 107.32 109.06 2h3c s GLY 63 Ca 0.31 0.61 -0.18 0.00 0.00 0.00 0.00 44.72 45.46 2h3c s GLY 63 CO -0.12 3.42 1.91 -1.14 0.00 0.00 0.00 173.10 177.17 2h3c n SER 64 N 10.03 4.13 -0.05 1.64 3.41 -1.26 -4.52 113.62 127.00 2h3c n SER 64 Ca 0.24 -2.84 -0.10 0.00 -0.26 0.00 0.00 58.87 55.91 2h3c n SER 64 Cb 0.45 -1.66 -0.03 0.00 -0.26 0.00 0.00 64.21 62.70 2h3c n SER 64 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2h3c n PHE 65 N 8.72 0.00 0.00 7.33 3.01 -1.26 -5.06 117.46 130.20 2h3c n PHE 65 Ca 0.49 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.95 2h3c n PHE 65 Cb 0.44 -0.40 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 2h3c n PHE 65 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2h3c n ALA 66 N -3.94 0.00 -0.01 4.37 0.00 -1.26 -5.10 120.51 114.57 2h3c n ALA 66 Ca -0.17 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.23 2h3c n ALA 66 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 2h3c n ALA 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2h3c n ASP 67 N 0.00 1.48 0.02 0.00 8.00 -1.26 -5.04 116.55 119.74 2h3c n ASP 67 Ca 0.00 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.72 2h3c n ASP 67 Cb 0.00 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 2h3c n ASP 67 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2h3c n GLU 68 N -3.92 0.00 -0.16 -1.24 0.00 -1.26 -5.09 120.64 108.96 2h3c n GLU 68 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.03 2h3c n GLU 68 Cb 0.23 -0.06 0.06 0.00 0.00 0.00 0.00 31.44 31.66 2h3c n GLU 68 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 2h3c n ASN 69 N -2.68 -1.66 -4.00 4.31 6.94 -1.26 -5.06 115.26 111.85 2h3c n ASN 69 Ca 0.00 -0.49 -0.13 0.00 -0.02 0.00 0.00 54.58 53.94 2h3c n ASN 69 Cb 0.00 -0.21 -0.13 0.00 -2.36 0.00 0.00 39.78 37.08 2h3c n ASN 69 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 2h3c s LYS 70 N -3.50 0.41 0.37 -3.83 0.00 -1.26 -4.67 119.74 107.27 2h3c s LYS 70 Ca 0.15 -0.49 0.06 0.00 0.00 0.00 0.00 55.97 55.69 2h3c s LYS 70 Cb -0.02 -0.24 0.06 0.00 0.00 0.00 0.00 37.83 37.63 2h3c s LYS 70 CO 0.12 0.05 0.48 -3.47 0.00 0.00 0.00 175.35 172.53 2h3c n ASP 71 N 2.09 1.48 0.00 0.03 -0.08 -1.26 -5.12 116.55 113.70 2h3c n ASP 71 Ca -0.19 -2.03 0.00 0.00 -1.51 0.00 0.00 54.79 51.06 2h3c n ASP 71 Cb 0.56 -0.24 0.00 0.00 2.34 0.00 0.00 41.12 43.78 2h3c n ASP 71 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19