#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 -0.07 -4.19 2.12 4.01 -1.26 -5.09 118.16 113.68 2h3c n LYS 2 Ca 0.00 -1.00 -0.30 0.00 -0.51 0.00 0.00 58.31 56.50 2h3c n LYS 2 Cb 0.00 -0.41 -0.16 0.00 -0.51 0.00 0.00 35.03 33.95 2h3c n LYS 2 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 2h3c s GLN 3 N -3.83 2.35 -0.40 1.97 0.74 -1.26 -5.09 119.66 114.15 2h3c s GLN 3 Ca 0.29 -0.59 -0.29 0.00 0.05 0.00 0.00 55.36 54.82 2h3c s GLN 3 Cb -0.01 -2.09 0.02 0.00 1.10 0.00 0.00 33.01 32.03 2h3c s GLN 3 CO 0.20 -0.17 1.12 0.50 -0.55 0.00 0.00 175.29 176.38 2h3c s ARG 4 N 1.30 3.89 -0.23 1.67 3.52 -1.26 -5.00 118.95 122.85 2h3c s ARG 4 Ca 0.01 0.83 -0.08 0.00 -0.13 0.00 0.00 55.73 56.36 2h3c s ARG 4 Cb -0.14 -3.83 -0.04 0.00 -1.56 0.00 0.00 34.95 29.39 2h3c s ARG 4 CO -0.08 -1.15 0.10 0.96 -0.81 0.00 0.00 175.30 174.32 2h3c s ILE 5 N 4.09 4.79 -0.09 4.11 -4.36 -1.26 -5.08 121.20 123.40 2h3c s ILE 5 Ca 0.47 -0.02 0.00 0.00 -0.26 0.00 0.00 60.65 60.85 2h3c s ILE 5 Cb -0.10 -3.22 0.02 0.00 1.25 0.00 0.00 42.46 40.41 2h3c s ILE 5 CO 0.24 0.37 -0.08 0.42 0.24 0.00 0.00 174.94 176.12 2h3c s THR 6 N 1.10 0.99 -0.42 8.37 -4.23 -1.26 -5.09 115.64 115.09 2h3c s THR 6 Ca 0.05 -0.31 -0.15 0.00 -1.18 0.00 0.00 61.69 60.11 2h3c s THR 6 Cb -0.14 -0.98 0.04 0.00 1.34 0.00 0.00 72.50 72.76 2h3c s THR 6 CO 0.04 0.35 0.32 -0.69 -0.54 0.00 0.00 174.62 174.09 2h3c s VAL 7 N 1.36 5.15 -0.93 2.29 1.01 -1.26 -5.01 120.40 123.01 2h3c s VAL 7 Ca -0.02 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 60.90 2h3c s VAL 7 Cb -0.14 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2h3c s VAL 7 CO -0.04 -0.39 1.89 0.42 0.00 0.00 0.00 175.10 176.99 2h3c s THR 8 N 1.65 3.51 0.00 3.92 -4.23 -1.26 -4.90 115.64 114.33 2h3c s THR 8 Ca 0.04 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 2h3c s THR 8 Cb -0.21 -4.15 0.00 0.00 1.34 0.00 0.00 72.50 69.48 2h3c s THR 8 CO 0.08 -1.06 0.00 0.52 -0.54 0.00 0.00 174.62 173.62 2h3c n VAL 9 N 7.76 0.00 -0.10 2.29 0.31 -1.26 -4.75 118.33 122.57 2h3c n VAL 9 Ca 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 2h3c n VAL 9 Cb 0.47 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 2h3c n VAL 9 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2h3c n ASP 10 N 0.00 0.00 0.07 4.52 2.03 -1.26 -4.62 116.55 117.29 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 -1.20 -1.92 0.00 0.00 177.20 174.08 2h3c n SER 11 N 0.00 0.31 0.00 1.67 7.64 -1.26 -5.01 113.62 116.97 2h3c n SER 11 Ca 0.00 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2h3c n SER 11 Cb 0.00 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 2h3c n SER 11 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2h3c n ASP 12 N -3.18 0.00 0.00 6.43 9.92 -1.26 -4.88 116.55 123.58 2h3c n ASP 12 Ca 0.00 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 2h3c n ASP 12 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2h3c n ASP 12 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2h3c n SER 13 N -0.01 0.00 0.02 -2.24 2.88 -1.26 -5.05 113.62 107.96 2h3c n SER 13 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 2h3c n SER 13 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 2h3c n SER 13 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2h3c h TYR 14 N 0.00 0.47 -1.05 0.66 3.20 -1.98 -3.39 116.97 114.87 2h3c h TYR 14 Ca 0.00 -0.34 0.29 0.00 3.14 0.00 0.00 58.73 61.81 2h3c h TYR 14 Cb 0.00 -0.02 -0.11 0.00 1.54 0.00 0.00 36.73 38.14 2h3c h TYR 14 CO 0.00 1.45 0.65 -0.56 -1.64 0.00 0.00 178.16 178.07 2h3c h GLN 15 N -0.35 0.40 0.64 1.82 -0.00 -1.98 -2.39 115.11 113.25 2h3c h GLN 15 Ca -0.24 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.36 2h3c h GLN 15 Cb 1.70 -0.09 0.01 0.00 -0.00 0.00 0.00 27.48 29.09 2h3c h GLN 15 CO 0.09 0.26 -0.31 -0.07 -0.00 0.00 0.00 178.83 178.80 2h3c h LEU 16 N 0.41 -0.73 -0.84 0.06 3.38 -1.97 1.10 115.31 116.72 2h3c h LEU 16 Ca 0.65 0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.83 2h3c h LEU 16 Cb 1.56 0.19 -0.12 0.00 0.09 0.00 0.00 40.66 42.38 2h3c h LEU 16 CO -0.40 -0.50 0.31 -0.07 0.09 0.00 0.00 178.44 177.87 2h3c h LEU 17 N -0.91 0.21 -0.01 1.67 -0.00 -1.66 0.25 115.31 114.86 2h3c h LEU 17 Ca -0.09 0.15 -0.22 0.00 -0.00 0.00 0.00 57.88 57.72 2h3c h LEU 17 Cb 0.68 0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 41.47 2h3c h LEU 17 CO 0.15 -0.00 -1.03 0.07 -0.00 0.00 0.00 178.44 177.63 2h3c h LYS 18 N 0.36 0.05 -0.06 1.13 2.10 -1.45 0.14 116.57 118.85 2h3c h LYS 18 Ca 0.50 -0.09 0.02 0.00 -2.00 0.00 0.00 60.65 59.08 2h3c h LYS 18 Cb 0.90 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.26 2h3c h LYS 18 CO -0.52 1.03 0.05 0.00 -2.00 0.00 0.00 179.45 178.01 2h3c h ALA 19 N 0.94 1.97 0.05 0.07 0.00 0.45 -2.47 119.26 120.26 2h3c h ALA 19 Ca -0.03 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 2h3c h ALA 19 Cb 1.78 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 2h3c h ALA 19 CO 0.14 -0.08 -1.33 0.10 0.00 0.00 0.00 179.25 178.08 2h3c h TYR 20 N 0.00 0.20 0.00 0.00 -0.00 -0.95 -3.49 116.97 112.74 2h3c h TYR 20 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 58.73 58.61 2h3c h TYR 20 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 36.73 36.84 2h3c h TYR 20 CO 0.00 1.52 0.00 -3.47 -0.00 0.00 0.00 178.16 176.21 2h3c n ASP 21 N -4.14 0.00 -3.04 0.10 2.03 -0.93 -4.94 116.55 105.63 2h3c n ASP 21 Ca -0.28 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 54.96 2h3c n ASP 21 Cb 0.79 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.17 2h3c n ASP 21 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2h3c s VAL 22 N 0.00 -0.79 0.00 5.18 1.01 0.47 -4.96 120.40 121.31 2h3c s VAL 22 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2h3c s VAL 22 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.18 2h3c s VAL 22 CO 0.00 -0.19 0.00 -0.46 0.00 0.00 0.00 175.10 174.45 2h3c n ASN 23 N 3.55 0.00 0.00 3.32 6.94 -1.25 -3.70 115.26 124.13 2h3c n ASN 23 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.72 2h3c n ASN 23 Cb 0.54 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 2h3c n ASN 23 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 2h3c n ILE 24 N 0.00 0.00 -0.23 1.53 -6.64 -1.26 -4.62 119.36 108.14 2h3c n ILE 24 Ca 0.00 -0.03 -0.06 0.00 -1.77 0.00 0.00 62.75 60.89 2h3c n ILE 24 Cb 0.00 1.60 -0.05 0.00 -1.44 0.00 0.00 39.64 39.74 2h3c n ILE 24 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 2h3c n SER 25 N -0.02 -0.58 0.02 7.28 3.41 -1.26 0.59 113.62 123.05 2h3c n SER 25 Ca 0.00 1.38 -0.08 0.00 -0.26 0.00 0.00 58.87 59.91 2h3c n SER 25 Cb 0.15 -0.33 -0.13 0.00 -0.26 0.00 0.00 64.21 63.64 2h3c n SER 25 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2h3c h GLY 26 N 0.00 0.00 0.71 5.00 0.00 -1.95 -3.29 103.07 103.54 2h3c h GLY 26 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 2h3c h GLY 26 CO -0.52 0.00 -0.40 -2.00 0.00 0.00 0.00 176.54 173.62 2h3c h LEU 27 N 0.00 -0.99 0.06 3.11 5.85 -1.62 -0.46 115.31 121.27 2h3c h LEU 27 Ca -0.15 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2h3c h LEU 27 Cb 1.89 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 43.19 2h3c h LEU 27 CO 0.10 -0.63 -0.15 0.58 -0.34 0.00 0.00 178.44 178.00 2h3c h VAL 28 N -1.02 0.00 -1.05 1.05 2.07 -0.03 1.20 116.25 118.45 2h3c h VAL 28 Ca -0.10 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.70 2h3c h VAL 28 Cb 0.81 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.48 2h3c h VAL 28 CO 0.12 0.00 0.67 0.77 0.02 0.00 0.00 177.57 179.15 2h3c h SER 29 N -0.23 0.46 0.07 0.57 4.64 -1.64 1.53 113.55 118.94 2h3c h SER 29 Ca -0.01 0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.28 2h3c h SER 29 Cb 0.22 0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2h3c h SER 29 CO -0.07 0.07 -0.54 0.00 -0.87 0.00 0.00 176.83 175.42 2h3c h THR 30 N 0.39 1.55 0.00 2.95 1.03 -0.62 -3.17 112.91 115.05 2h3c h THR 30 Ca 0.62 -2.32 -0.00 0.00 -0.01 0.00 0.00 66.41 64.70 2h3c h THR 30 Cb 1.55 3.05 0.00 0.00 -1.07 0.00 0.00 68.15 71.67 2h3c h THR 30 CO -0.33 0.65 -0.00 0.74 -0.01 0.00 0.00 175.52 176.57 2h3c h THR 31 N -0.45 1.16 -0.83 0.00 2.02 0.31 -2.67 112.91 112.44 2h3c h THR 31 Ca -0.09 -0.47 0.16 0.00 0.77 0.00 0.00 66.41 66.79 2h3c h THR 31 Cb 1.36 1.48 -0.10 0.00 -1.74 0.00 0.00 68.15 69.15 2h3c h THR 31 CO 0.10 0.12 0.38 0.24 0.37 0.00 0.00 175.52 176.74 2h3c h MET 32 N -0.20 0.50 -0.10 6.66 2.86 0.19 0.42 114.93 125.27 2h3c h MET 32 Ca -0.00 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2h3c h MET 32 Cb 0.20 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 2h3c h MET 32 CO 0.00 0.33 0.06 -0.56 1.06 0.00 0.00 176.91 177.80 2h3c h GLN 33 N 0.52 0.14 -0.27 1.72 3.07 -1.50 1.67 115.11 120.46 2h3c h GLN 33 Ca 0.47 -0.01 0.01 0.00 0.09 0.00 0.00 58.65 59.21 2h3c h GLN 33 Cb 0.74 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.26 2h3c h GLN 33 CO -0.41 0.15 0.16 -2.95 0.09 0.00 0.00 178.83 175.87 2h3c h ASN 34 N 0.09 0.27 -0.58 0.06 7.08 -0.80 0.55 115.58 122.25 2h3c h ASN 34 Ca 0.04 -0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.19 2h3c h ASN 34 Cb 0.05 -0.06 -0.03 0.00 -2.08 0.00 0.00 38.32 36.21 2h3c h ASN 34 CO -0.01 0.20 0.10 -0.33 -2.08 0.00 0.00 177.43 175.32 2h3c h GLU 35 N 0.34 0.99 -0.31 4.14 3.07 0.05 0.30 114.58 123.16 2h3c h GLU 35 Ca 0.10 -0.25 0.01 0.00 -0.50 0.00 0.00 59.36 58.73 2h3c h GLU 35 Cb -0.01 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.75 2h3c h GLU 35 CO -0.04 0.91 0.17 0.00 -1.40 0.00 0.00 179.01 178.65 2h3c h ALA 36 N 1.17 0.38 0.19 3.43 0.00 0.34 1.10 119.26 125.87 2h3c h ALA 36 Ca 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2h3c h ALA 36 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2h3c h ALA 36 CO 0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 179.25 178.97 2h3c h ARG 37 N 0.36 -0.25 -0.36 0.00 3.08 0.48 -2.83 114.38 114.86 2h3c h ARG 37 Ca 0.12 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.26 2h3c h ARG 37 Cb 0.01 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.05 2h3c h ARG 37 CO -0.06 -0.16 -0.08 0.00 -1.07 0.00 0.00 179.97 178.60 2h3c h ARG 38 N -0.27 0.01 0.00 0.04 2.47 0.17 -3.44 114.38 113.35 2h3c h ARG 38 Ca -0.03 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2h3c h ARG 38 Cb 0.21 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 2h3c h ARG 38 CO 0.04 0.00 0.00 -0.11 0.56 0.00 0.00 179.97 180.47 2h3c n LEU 39 N -5.28 0.00 0.09 3.04 0.00 0.37 -4.79 117.00 110.44 2h3c n LEU 39 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.02 2h3c n LEU 39 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.62 2h3c n LEU 39 CO 0.17 0.00 0.00 -1.14 0.00 0.00 0.00 177.39 176.42 2h3c n ARG 40 N 0.00 0.00 -3.51 1.96 3.00 -1.26 -5.04 116.66 111.81 2h3c n ARG 40 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 2h3c n ARG 40 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 2h3c n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2h3c s ALA 41 N -2.00 -1.77 0.83 5.13 0.00 -1.26 -5.19 121.76 117.51 2h3c s ALA 41 Ca 0.00 1.14 -0.07 0.00 0.00 0.00 0.00 51.96 53.03 2h3c s ALA 41 Cb 0.00 0.12 0.17 0.00 0.00 0.00 0.00 23.12 23.41 2h3c s ALA 41 CO 0.00 -0.49 1.14 -1.83 0.00 0.00 0.00 175.76 174.58 2h3c s GLU 42 N -1.99 1.17 0.00 0.00 1.03 -1.26 -5.05 118.70 112.60 2h3c s GLU 42 Ca -0.05 -0.90 0.00 0.00 0.03 0.00 0.00 54.97 54.05 2h3c s GLU 42 Cb -0.00 -2.13 0.00 0.00 -0.80 0.00 0.00 34.13 31.19 2h3c s GLU 42 CO 0.01 -1.90 0.00 0.54 -1.33 0.00 0.00 175.26 172.58 2h3c n ARG 43 N -3.24 0.00 0.00 -4.83 5.12 -1.26 -5.10 116.66 107.36 2h3c n ARG 43 Ca 0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 2h3c n ARG 43 Cb 0.60 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.90 2h3c n ARG 43 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 2h3c n TRP 44 N -0.86 0.00 -1.17 -1.55 7.02 -1.26 -5.12 117.44 114.50 2h3c n TRP 44 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2h3c n TRP 44 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 2h3c n TRP 44 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 2h3c n LYS 45 N 0.00 -2.30 -1.64 -0.99 3.00 -1.26 -4.88 118.16 110.10 2h3c n LYS 45 Ca 0.00 1.92 -0.49 0.00 -0.00 0.00 0.00 58.31 59.74 2h3c n LYS 45 Cb 0.00 -1.78 -0.05 0.00 0.00 0.00 0.00 35.03 33.19 2h3c n LYS 45 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2h3c n VAL 46 N 0.78 0.05 -2.58 3.15 3.14 -1.26 -4.90 118.33 116.71 2h3c n VAL 46 Ca 0.00 -0.01 -0.43 0.00 -2.96 0.00 0.00 64.34 60.94 2h3c n VAL 46 Cb 0.00 -1.23 -0.02 0.00 -1.06 0.00 0.00 33.84 31.53 2h3c n VAL 46 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2h3c s GLU 47 N 1.01 4.00 -0.23 1.45 2.02 -1.26 -4.99 118.70 120.71 2h3c s GLU 47 Ca 0.83 1.07 -0.28 0.00 0.02 0.00 0.00 54.97 56.61 2h3c s GLU 47 Cb -0.82 -3.79 0.13 0.00 0.10 0.00 0.00 34.13 29.76 2h3c s GLU 47 CO 0.44 -1.00 1.07 -0.80 0.02 0.00 0.00 175.26 174.99 2h3c s ASN 48 N 2.01 -0.35 -0.41 -0.19 0.01 -1.26 -5.13 114.94 109.61 2h3c s ASN 48 Ca 0.48 0.54 -0.07 0.00 -0.71 0.00 0.00 52.86 53.10 2h3c s ASN 48 Cb -0.13 0.50 0.09 0.00 0.41 0.00 0.00 41.25 42.12 2h3c s ASN 48 CO 0.19 -0.22 0.24 -1.58 -1.51 0.00 0.00 177.10 174.22 2h3c s GLN 49 N -0.48 2.46 0.50 -0.60 -0.44 -1.26 -5.09 119.66 114.75 2h3c s GLN 49 Ca 0.02 -1.55 -0.14 0.00 -2.50 0.00 0.00 55.36 51.18 2h3c s GLN 49 Cb -0.03 -3.72 -0.07 0.00 -1.64 0.00 0.00 33.01 27.56 2h3c s GLN 49 CO -0.04 -0.98 0.93 -2.00 0.50 0.00 0.00 175.29 173.71 2h3c s GLU 50 N 1.35 3.87 0.00 1.67 -6.30 -1.26 -5.07 118.70 112.96 2h3c s GLU 50 Ca 0.04 0.80 0.00 0.00 -2.50 0.00 0.00 54.97 53.31 2h3c s GLU 50 Cb -0.23 -2.20 0.00 0.00 0.00 0.00 0.00 34.13 31.70 2h3c s GLU 50 CO 0.00 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.45 2h3c n GLY 51 N -1.63 1.41 3.74 -1.50 0.00 -1.26 -5.17 105.19 100.77 2h3c n GLY 51 Ca 0.05 0.36 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 2h3c n GLY 51 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2h3c s MET 52 N 0.00 2.91 0.52 1.61 -1.94 -1.26 -5.12 119.30 116.02 2h3c s MET 52 Ca 0.00 -0.58 -0.10 0.00 -1.71 0.00 0.00 55.69 53.30 2h3c s MET 52 Cb 0.00 -2.75 -0.05 0.00 2.01 0.00 0.00 34.83 34.04 2h3c s MET 52 CO 0.00 0.62 0.90 0.08 -0.01 0.00 0.00 175.02 176.61 2h3c s VAL 53 N -1.19 4.76 -1.17 -6.03 1.01 -1.26 -4.33 120.40 112.20 2h3c s VAL 53 Ca 0.23 0.67 -0.16 0.00 0.00 0.00 0.00 61.98 62.72 2h3c s VAL 53 Cb -0.12 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.46 2h3c s VAL 53 CO 0.14 -0.88 0.30 -1.84 0.00 0.00 0.00 175.10 172.82 2h3c n GLU 54 N -2.16 -0.62 -2.62 2.72 0.28 -1.26 -4.83 120.64 112.14 2h3c n GLU 54 Ca 0.04 0.02 -0.43 0.00 -0.16 0.00 0.00 57.16 56.62 2h3c n GLU 54 Cb 0.54 -2.45 0.00 0.00 1.43 0.00 0.00 31.44 30.96 2h3c n GLU 54 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2h3c n VAL 55 N -4.27 4.29 0.00 3.84 0.24 -1.26 -4.70 118.33 116.47 2h3c n VAL 55 Ca -0.18 -4.54 0.00 0.00 -2.04 0.00 0.00 64.34 57.58 2h3c n VAL 55 Cb 0.53 -2.41 0.00 0.00 -1.47 0.00 0.00 33.84 30.49 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 4.79 0.77 -0.76 2.33 0.00 -1.26 -4.92 120.51 121.46 2h3c n ALA 56 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2h3c n ALA 56 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2h3c n ALA 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2h3c n ARG 57 N -0.58 0.00 -3.19 0.00 5.12 -1.26 -3.01 116.66 113.73 2h3c n ARG 57 Ca 0.00 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.70 2h3c n ARG 57 Cb 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.24 2h3c n ARG 57 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2h3c n PHE 58 N 0.00 -1.26 -3.69 -1.55 3.01 -1.26 -5.06 117.46 107.65 2h3c n PHE 58 Ca 0.00 -3.05 -0.36 0.00 1.01 0.00 0.00 57.45 55.05 2h3c n PHE 58 Cb 0.00 0.29 -0.08 0.00 -0.01 0.00 0.00 39.48 39.68 2h3c n PHE 58 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 2h3c s ILE 59 N -0.25 3.99 0.02 4.37 2.07 -1.16 -5.06 121.20 125.17 2h3c s ILE 59 Ca 0.33 -3.57 0.06 0.00 -1.41 0.00 0.00 60.65 56.07 2h3c s ILE 59 Cb 0.10 -3.53 -0.03 0.00 0.13 0.00 0.00 42.46 39.13 2h3c s ILE 59 CO -0.16 -1.00 -0.17 -0.70 -1.91 0.00 0.00 174.94 171.01 2h3c s GLU 60 N -0.88 2.19 -0.50 3.50 -6.30 -1.26 -5.07 118.70 110.37 2h3c s GLU 60 Ca 0.23 -0.91 0.07 0.00 -2.50 0.00 0.00 54.97 51.86 2h3c s GLU 60 Cb -0.12 -2.24 0.21 0.00 0.00 0.00 0.00 34.13 31.98 2h3c s GLU 60 CO -0.09 0.56 0.78 -1.33 0.02 0.00 0.00 175.26 175.20 2h3c n MET 61 N 1.72 0.63 -0.74 4.30 2.81 -1.26 -5.05 117.12 119.53 2h3c n MET 61 Ca -0.16 -1.97 -0.29 0.00 -1.81 0.00 0.00 57.70 53.48 2h3c n MET 61 Cb 0.52 -1.47 -0.04 0.00 -0.71 0.00 0.00 33.22 31.52 2h3c n MET 61 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2h3c n ASN 62 N 2.39 2.88 0.00 7.83 2.85 -1.26 -4.33 115.26 125.62 2h3c n ASN 62 Ca 0.15 -2.42 0.00 0.00 -0.11 0.00 0.00 54.58 52.20 2h3c n ASN 62 Cb 0.59 -0.94 0.00 0.00 1.24 0.00 0.00 39.78 40.66 2h3c n ASN 62 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2h3c n GLY 63 N 4.21 -0.34 3.89 8.20 0.00 -1.26 -5.17 105.19 114.71 2h3c n GLY 63 Ca 0.40 0.68 -0.29 0.00 0.00 0.00 0.00 46.02 46.81 2h3c n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2h3c s SER 64 N 0.00 6.31 -0.19 1.61 1.04 -1.26 -5.03 113.70 116.18 2h3c s SER 64 Ca 0.00 1.14 0.00 0.00 0.48 0.00 0.00 55.95 57.58 2h3c s SER 64 Cb 0.00 -2.34 -0.12 0.00 0.10 0.00 0.00 66.02 63.66 2h3c s SER 64 CO 0.00 -0.64 -0.17 2.22 0.98 0.00 0.00 173.24 175.62 2h3c n PHE 65 N -2.24 0.00 0.00 5.02 -1.74 -1.26 -4.98 117.46 112.26 2h3c n PHE 65 Ca 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.92 2h3c n PHE 65 Cb 0.55 -0.71 0.00 0.00 1.52 0.00 0.00 39.48 40.83 2h3c n PHE 65 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2h3c n ALA 66 N -3.13 2.82 -2.65 1.98 0.00 -1.26 -5.15 120.51 113.12 2h3c n ALA 66 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2h3c n ALA 66 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.29 2h3c n ALA 66 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2h3c n ASP 67 N -2.23 1.21 0.00 0.00 2.03 -1.26 -5.10 116.55 111.20 2h3c n ASP 67 Ca 0.00 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.26 2h3c n ASP 67 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2h3c n ASP 67 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2h3c n GLU 68 N -0.02 3.74 -3.64 -0.67 2.13 -1.26 -4.81 120.64 116.12 2h3c n GLU 68 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 2h3c n GLU 68 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 2h3c n GLU 68 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2h3c s ASN 69 N 0.25 -0.79 0.05 4.31 2.20 -1.26 -5.12 114.94 114.58 2h3c s ASN 69 Ca 0.00 1.32 0.02 0.00 -0.94 0.00 0.00 52.86 53.26 2h3c s ASN 69 Cb 0.00 1.92 -0.03 0.00 -2.00 0.00 0.00 41.25 41.14 2h3c s ASN 69 CO 0.00 -0.23 -0.07 -0.54 -2.94 0.00 0.00 177.10 173.32 2h3c s LYS 70 N 2.78 0.58 0.26 3.55 -0.14 -1.26 -5.11 119.74 120.41 2h3c s LYS 70 Ca -0.03 -0.86 0.00 0.00 -1.36 0.00 0.00 55.97 53.71 2h3c s LYS 70 Cb -0.12 -0.26 0.00 0.00 -1.68 0.00 0.00 37.83 35.76 2h3c s LYS 70 CO -0.17 0.03 0.00 -0.25 -0.76 0.00 0.00 175.35 174.21 2h3c n ASP 71 N 1.18 -6.61 0.00 2.83 8.00 -1.26 -5.24 116.55 115.46 2h3c n ASP 71 Ca -0.21 0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.74 2h3c n ASP 71 Cb 0.56 -3.37 0.00 0.00 -0.02 0.00 0.00 41.12 38.29 2h3c n ASP 71 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14