#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3c s LYS 2 N 0.00 0.52 -0.26 0.03 0.00 -1.26 -5.14 119.74 113.63 2h3c s LYS 2 Ca 0.00 1.19 -0.05 0.00 0.00 0.00 0.00 55.97 57.11 2h3c s LYS 2 Cb 0.00 0.60 -0.00 0.00 0.00 0.00 0.00 37.83 38.43 2h3c s LYS 2 CO 0.00 -0.16 0.03 -1.14 0.00 0.00 0.00 175.35 174.08 2h3c s GLN 3 N 2.48 3.27 -0.56 1.78 2.00 -1.26 -5.05 119.66 122.31 2h3c s GLN 3 Ca -0.06 -0.72 -0.28 0.00 -2.00 0.00 0.00 55.36 52.30 2h3c s GLN 3 Cb -0.09 -3.21 0.02 0.00 0.80 0.00 0.00 33.01 30.53 2h3c s GLN 3 CO -0.18 -0.31 1.28 0.50 -0.50 0.00 0.00 175.29 176.07 2h3c s ARG 4 N 1.50 3.45 -0.16 1.67 3.52 -1.26 -4.98 118.95 122.69 2h3c s ARG 4 Ca 0.04 0.36 -0.03 0.00 -0.13 0.00 0.00 55.73 55.97 2h3c s ARG 4 Cb -0.16 -4.05 -0.02 0.00 -1.56 0.00 0.00 34.95 29.16 2h3c s ARG 4 CO 0.00 -1.75 -0.05 0.96 -0.81 0.00 0.00 175.30 173.65 2h3c s ILE 5 N 5.33 3.66 -0.04 4.11 -4.36 -1.26 -5.11 121.20 123.53 2h3c s ILE 5 Ca 0.47 -0.43 0.02 0.00 -0.26 0.00 0.00 60.65 60.45 2h3c s ILE 5 Cb -0.09 -2.60 0.01 0.00 1.25 0.00 0.00 42.46 41.03 2h3c s ILE 5 CO 0.26 0.48 -0.08 0.28 0.24 0.00 0.00 174.94 176.12 2h3c s THR 6 N 0.57 0.79 -0.46 8.37 -1.32 -1.26 -5.09 115.64 117.24 2h3c s THR 6 Ca -0.04 -0.30 -0.14 0.00 -1.21 0.00 0.00 61.69 60.00 2h3c s THR 6 Cb -0.15 -0.75 0.07 0.00 -1.51 0.00 0.00 72.50 70.17 2h3c s THR 6 CO 0.03 0.27 0.36 0.54 -2.21 0.00 0.00 174.62 173.61 2h3c s VAL 7 N 0.62 5.01 -0.86 5.08 0.11 -1.26 -5.01 120.40 124.09 2h3c s VAL 7 Ca -0.10 -1.12 -0.25 0.00 -2.93 0.00 0.00 61.98 57.58 2h3c s VAL 7 Cb -0.13 -4.00 -0.04 0.00 -1.53 0.00 0.00 36.38 30.69 2h3c s VAL 7 CO 0.01 -0.55 1.89 0.42 -3.33 0.00 0.00 175.10 173.55 2h3c s THR 8 N 1.60 3.47 0.00 5.04 -4.23 -1.26 -4.92 115.64 115.34 2h3c s THR 8 Ca 0.04 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 2h3c s THR 8 Cb -0.24 -4.07 0.00 0.00 1.34 0.00 0.00 72.50 69.53 2h3c s THR 8 CO 0.06 -1.02 0.00 0.52 -0.54 0.00 0.00 174.62 173.64 2h3c n VAL 9 N 7.69 0.00 0.00 2.29 0.31 -1.26 -4.93 118.33 122.43 2h3c n VAL 9 Ca 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 2h3c n VAL 9 Cb 0.48 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 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 0.00 4.52 2.03 -1.26 -4.87 116.55 116.97 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 -1.54 -1.92 0.00 0.00 177.20 173.74 2h3c n SER 11 N 0.00 0.00 -0.50 1.67 3.41 -1.26 -4.96 113.62 111.98 2h3c n SER 11 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2h3c n SER 11 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2h3c n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2h3c n ASP 12 N -0.81 0.74 0.00 4.04 9.92 -1.26 -4.81 116.55 124.37 2h3c n ASP 12 Ca 0.00 -1.50 0.00 0.00 -0.53 0.00 0.00 54.79 52.76 2h3c n ASP 12 Cb 0.00 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 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 0.12 -2.30 -0.11 -2.24 7.64 -1.26 -4.95 113.62 110.51 2h3c n SER 13 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 2h3c n SER 13 Cb 0.19 -0.38 -0.02 0.00 -1.01 0.00 0.00 64.21 62.99 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 0.00 0.52 -0.94 1.43 3.20 -1.98 -3.20 116.97 115.99 2h3c h TYR 14 Ca 0.00 -0.04 0.21 0.00 3.14 0.00 0.00 58.73 62.04 2h3c h TYR 14 Cb 0.00 -0.16 -0.12 0.00 1.54 0.00 0.00 36.73 38.00 2h3c h TYR 14 CO 0.00 0.48 0.51 1.96 -1.64 0.00 0.00 178.16 179.48 2h3c h GLN 15 N 0.40 0.56 -0.18 1.82 4.20 -1.97 -2.27 115.11 117.67 2h3c h GLN 15 Ca 0.11 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.80 2h3c h GLN 15 Cb 0.19 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2h3c h GLN 15 CO -0.01 0.37 0.10 1.25 -0.67 0.00 0.00 178.83 179.87 2h3c h LEU 16 N 0.58 0.16 -0.12 1.46 6.46 -1.95 0.41 115.31 122.30 2h3c h LEU 16 Ca 0.57 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 58.38 2h3c h LEU 16 Cb 1.00 -0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.84 2h3c h LEU 16 CO -0.45 0.12 -0.41 -0.07 -0.62 0.00 0.00 178.44 177.01 2h3c h LEU 17 N 0.21 -1.28 -1.16 2.25 -0.00 -1.53 0.16 115.31 113.96 2h3c h LEU 17 Ca 0.07 0.17 -0.06 0.00 -0.00 0.00 0.00 57.88 58.05 2h3c h LEU 17 Cb -0.00 0.52 -0.01 0.00 -0.00 0.00 0.00 40.66 41.17 2h3c h LEU 17 CO -0.04 -0.42 -0.30 0.07 -0.00 0.00 0.00 178.44 177.75 2h3c h LYS 18 N -0.49 0.00 0.00 1.13 2.10 -1.51 -2.29 116.57 115.51 2h3c h LYS 18 Ca 0.08 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.68 2h3c h LYS 18 Cb 0.62 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.94 2h3c h LYS 18 CO -0.39 0.30 -0.20 0.00 -2.00 0.00 0.00 179.45 177.17 2h3c h ALA 19 N 1.70 1.37 0.13 0.07 0.00 0.18 -2.87 119.26 119.84 2h3c h ALA 19 Ca -0.00 -0.18 -0.35 0.00 0.00 0.00 0.00 54.91 54.38 2h3c h ALA 19 Cb 0.75 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2h3c h ALA 19 CO 0.04 0.25 -1.85 0.10 0.00 0.00 0.00 179.25 177.79 2h3c h TYR 20 N 0.00 0.52 0.00 0.00 -0.00 -0.23 -3.48 116.97 113.77 2h3c h TYR 20 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 58.73 58.35 2h3c h TYR 20 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 37.15 2h3c h TYR 20 CO 0.00 1.65 0.00 -0.25 -0.00 0.00 0.00 178.16 179.56 2h3c n ASP 21 N -3.48 0.00 -3.28 0.10 8.00 -0.99 -5.00 116.55 111.91 2h3c n ASP 21 Ca -0.27 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.11 2h3c n ASP 21 Cb 1.06 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 42.10 2h3c n ASP 21 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2h3c s VAL 22 N 0.00 -0.48 -0.81 2.53 1.01 -1.04 -4.89 120.40 116.72 2h3c s VAL 22 Ca 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 2h3c s VAL 22 Cb 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.82 2h3c s VAL 22 CO 0.00 -0.46 1.98 0.59 0.00 0.00 0.00 175.10 177.21 2h3c n ASN 23 N 4.04 4.25 0.00 3.32 3.02 -1.26 -3.23 115.26 125.40 2h3c n ASN 23 Ca 0.13 -2.32 0.00 0.00 -0.03 0.00 0.00 54.58 52.37 2h3c n ASN 23 Cb 0.49 -1.04 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 2h3c n ASN 23 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2h3c n ILE 24 N 4.43 0.00 -0.30 2.41 -6.64 -1.26 -4.72 119.36 113.28 2h3c n ILE 24 Ca 0.40 0.00 -0.08 0.00 -1.77 0.00 0.00 62.75 61.31 2h3c n ILE 24 Cb 0.14 0.00 -0.07 0.00 -1.44 0.00 0.00 39.64 38.27 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 0.00 -0.76 0.07 7.28 3.41 -1.26 0.14 113.62 122.49 2h3c n SER 25 Ca 0.00 1.47 -0.09 0.00 -0.26 0.00 0.00 58.87 59.99 2h3c n SER 25 Cb 0.00 -0.26 -0.12 0.00 -0.26 0.00 0.00 64.21 63.57 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 0.06 0.84 5.00 0.00 -1.95 -3.27 103.07 103.75 2h3c h GLY 26 Ca 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 2h3c h GLY 26 CO -0.68 0.14 -0.40 -2.00 0.00 0.00 0.00 176.54 173.60 2h3c h LEU 27 N 0.01 -0.95 -0.16 3.11 5.85 -1.36 -0.31 115.31 121.50 2h3c h LEU 27 Ca -0.03 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2h3c h LEU 27 Cb 1.81 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 43.06 2h3c h LEU 27 CO 0.14 -0.68 -0.21 0.58 -0.34 0.00 0.00 178.44 177.94 2h3c h VAL 28 N -1.14 0.00 -0.81 1.05 2.07 0.11 1.00 116.25 118.53 2h3c h VAL 28 Ca -0.11 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.58 2h3c h VAL 28 Cb 0.86 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.52 2h3c h VAL 28 CO 0.19 0.00 0.30 0.77 0.02 0.00 0.00 177.57 178.85 2h3c h SER 29 N -0.14 0.22 -0.10 0.57 4.64 -1.62 0.66 113.55 117.77 2h3c h SER 29 Ca 0.03 0.14 -0.11 0.00 -0.47 0.00 0.00 61.79 61.38 2h3c h SER 29 Cb 0.22 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2h3c h SER 29 CO -0.22 0.02 -0.36 0.00 -0.87 0.00 0.00 176.83 175.40 2h3c h THR 30 N 0.38 1.39 -0.92 2.95 1.03 -0.46 -2.93 112.91 114.34 2h3c h THR 30 Ca 0.47 -1.70 0.13 0.00 -0.01 0.00 0.00 66.41 65.31 2h3c h THR 30 Cb 0.82 2.18 -0.07 0.00 -1.07 0.00 0.00 68.15 70.01 2h3c h THR 30 CO -0.49 0.50 0.59 0.74 -0.01 0.00 0.00 175.52 176.85 2h3c h THR 31 N -0.00 0.87 0.43 0.00 2.02 0.22 -2.29 112.91 114.17 2h3c h THR 31 Ca -0.02 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 2h3c h THR 31 Cb 0.99 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 2h3c h THR 31 CO 0.08 0.15 -0.39 0.24 0.37 0.00 0.00 175.52 175.97 2h3c h MET 32 N 0.81 -0.80 -1.00 6.66 2.86 0.44 0.12 114.93 124.02 2h3c h MET 32 Ca 0.46 0.05 0.22 0.00 -2.06 0.00 0.00 59.70 58.37 2h3c h MET 32 Cb 0.61 0.18 -0.10 0.00 0.06 0.00 0.00 31.60 32.35 2h3c h MET 32 CO -0.22 -0.53 0.62 -0.56 1.06 0.00 0.00 176.91 177.28 2h3c h GLN 33 N -0.83 0.60 0.09 1.72 3.07 -1.26 2.47 115.11 120.97 2h3c h GLN 33 Ca -0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 58.65 58.66 2h3c h GLN 33 Cb 0.72 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 28.15 2h3c h GLN 33 CO -0.04 0.40 -0.04 -0.91 0.09 0.00 0.00 178.83 178.33 2h3c h ASN 34 N 0.62 -0.10 0.74 0.06 2.35 -1.20 0.35 115.58 118.40 2h3c h ASN 34 Ca 0.58 -0.41 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 2h3c h ASN 34 Cb 1.11 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.50 2h3c h ASN 34 CO -0.35 0.38 -0.14 -0.08 -1.65 0.00 0.00 177.43 175.59 2h3c h GLU 35 N -0.61 0.00 0.09 0.81 4.57 0.44 -0.54 114.58 119.33 2h3c h GLU 35 Ca -0.01 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.04 2h3c h GLU 35 Cb 0.50 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.10 2h3c h GLU 35 CO 0.02 0.14 -0.56 0.00 -1.18 0.00 0.00 179.01 177.42 2h3c h ALA 36 N 1.86 -0.05 0.07 2.92 0.00 0.43 1.24 119.26 125.73 2h3c h ALA 36 Ca -0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 2h3c h ALA 36 Cb 0.54 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2h3c h ALA 36 CO 0.02 0.26 -0.03 0.00 0.00 0.00 0.00 179.25 179.50 2h3c h ARG 37 N -0.50 -0.09 0.00 0.00 2.47 -0.15 -3.34 114.38 112.77 2h3c h ARG 37 Ca -0.09 0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.54 2h3c h ARG 37 Cb 1.42 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.74 2h3c h ARG 37 CO 0.11 0.09 -0.49 -0.09 0.56 0.00 0.00 179.97 180.15 2h3c h ARG 38 N -0.26 0.00 -5.79 0.04 2.43 -1.22 -3.51 114.38 106.08 2h3c h ARG 38 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2h3c h ARG 38 Cb 0.22 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2h3c h ARG 38 CO 0.02 1.00 -0.91 1.28 -1.51 0.00 0.00 179.97 179.85 2h3c n LEU 39 N -4.54 -5.44 0.00 3.80 4.77 0.43 -4.44 117.00 111.58 2h3c n LEU 39 Ca -0.18 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.87 2h3c n LEU 39 Cb 0.56 -2.33 0.00 0.00 -2.33 0.00 0.00 43.42 39.32 2h3c n LEU 39 CO 0.28 -2.57 0.00 -1.14 -1.33 0.00 0.00 177.39 172.63 2h3c n ARG 40 N 1.41 0.00 -1.29 3.23 0.63 -1.26 -5.02 116.66 114.35 2h3c n ARG 40 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 2h3c n ARG 40 Cb 0.29 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.20 2h3c n ARG 40 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2h3c n ALA 41 N 6.12 -2.38 -2.73 5.13 0.00 -1.26 -4.78 120.51 120.60 2h3c n ALA 41 Ca 0.00 0.31 -0.43 0.00 0.00 0.00 0.00 53.44 53.32 2h3c n ALA 41 Cb 0.00 -1.12 -0.00 0.00 0.00 0.00 0.00 19.45 18.33 2h3c n ALA 41 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2h3c s GLU 42 N -2.40 3.99 -0.30 0.00 8.01 -1.26 -4.82 118.70 121.91 2h3c s GLU 42 Ca 0.00 -2.17 -0.18 0.00 0.01 0.00 0.00 54.97 52.64 2h3c s GLU 42 Cb 0.00 -5.33 0.18 0.00 -4.31 0.00 0.00 34.13 24.68 2h3c s GLU 42 CO 0.00 -2.05 1.18 0.50 0.01 0.00 0.00 175.26 174.89 2h3c s ARG 43 N 3.21 0.13 0.00 1.61 3.00 -1.26 -5.19 118.95 120.45 2h3c s ARG 43 Ca 0.49 0.33 0.00 0.00 -1.00 0.00 0.00 55.73 55.54 2h3c s ARG 43 Cb 0.01 0.19 0.00 0.00 0.00 0.00 0.00 34.95 35.15 2h3c s ARG 43 CO 0.03 -0.04 0.00 1.87 0.00 0.00 0.00 175.30 177.16 2h3c n TRP 44 N 4.67 0.00 -1.63 5.12 -0.00 -1.26 -4.98 117.44 119.36 2h3c n TRP 44 Ca -0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.13 2h3c n TRP 44 Cb 0.54 0.00 0.10 0.00 -0.00 0.00 0.00 31.31 31.95 2h3c n TRP 44 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 177.69 176.10 2h3c s LYS 45 N 1.39 1.89 -0.29 5.87 0.00 -1.26 -4.70 119.74 122.63 2h3c s LYS 45 Ca 0.00 0.46 -0.15 0.00 0.00 0.00 0.00 55.97 56.27 2h3c s LYS 45 Cb 0.00 -1.91 0.14 0.00 0.00 0.00 0.00 37.83 36.06 2h3c s LYS 45 CO 0.00 -1.72 0.91 0.54 0.00 0.00 0.00 175.35 175.09 2h3c s VAL 46 N -3.26 -0.15 -0.43 1.79 0.11 -1.26 -5.01 120.40 112.19 2h3c s VAL 46 Ca 0.61 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.58 2h3c s VAL 46 Cb -0.14 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.81 2h3c s VAL 46 CO 0.53 0.00 0.27 -1.61 -3.33 0.00 0.00 175.10 170.96 2h3c s GLU 47 N 1.68 2.50 -0.17 1.54 0.41 -1.26 -4.79 118.70 118.61 2h3c s GLU 47 Ca -0.08 -1.59 0.17 0.00 -0.41 0.00 0.00 54.97 53.07 2h3c s GLU 47 Cb -0.05 -3.79 0.38 0.00 -1.78 0.00 0.00 34.13 28.90 2h3c s GLU 47 CO -0.16 -1.03 1.21 0.27 -0.49 0.00 0.00 175.26 175.06 2h3c n ASN 48 N 4.87 0.27 -3.67 -0.19 6.94 -1.26 -5.08 115.26 117.13 2h3c n ASN 48 Ca -0.09 -2.06 -0.20 0.00 -0.02 0.00 0.00 54.58 52.21 2h3c n ASN 48 Cb 0.42 -0.02 -0.18 0.00 -2.36 0.00 0.00 39.78 37.64 2h3c n ASN 48 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 2h3c s GLN 49 N -1.31 -0.06 0.23 -3.83 2.00 -1.26 -5.15 119.66 110.28 2h3c s GLN 49 Ca 0.20 0.37 -0.05 0.00 -2.00 0.00 0.00 55.36 53.88 2h3c s GLN 49 Cb 0.32 -0.52 -0.05 0.00 0.80 0.00 0.00 33.01 33.55 2h3c s GLN 49 CO -0.09 -0.33 0.48 -2.00 -0.50 0.00 0.00 175.29 172.86 2h3c s GLU 50 N 2.15 3.64 0.00 1.67 2.12 -1.26 -5.02 118.70 121.99 2h3c s GLU 50 Ca 0.05 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.35 2h3c s GLU 50 Cb -0.12 -2.72 0.00 0.00 0.26 0.00 0.00 34.13 31.55 2h3c s GLU 50 CO -0.03 0.32 0.00 0.41 -0.54 0.00 0.00 175.26 175.42 2h3c n GLY 51 N -0.52 1.35 0.00 -1.50 0.00 -1.26 -5.09 105.19 98.17 2h3c n GLY 51 Ca -0.02 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2h3c n GLY 51 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2h3c n MET 52 N 0.00 0.00 -4.17 1.61 0.00 -1.26 -5.16 117.12 108.14 2h3c n MET 52 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.48 2h3c n MET 52 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.16 2h3c n MET 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2h3c s VAL 53 N 0.00 3.87 0.05 3.17 -7.23 -1.26 -5.06 120.40 113.93 2h3c s VAL 53 Ca 0.00 -1.64 -0.17 0.00 -1.81 0.00 0.00 61.98 58.36 2h3c s VAL 53 Cb 0.00 -3.12 -0.08 0.00 0.56 0.00 0.00 36.38 33.74 2h3c s VAL 53 CO 0.00 -0.34 1.27 -0.33 -0.31 0.00 0.00 175.10 175.39 2h3c h GLU 54 N 1.65 -0.42 -0.00 4.82 4.39 -2.00 -3.46 114.58 119.56 2h3c h GLU 54 Ca -0.46 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.27 2h3c h GLU 54 Cb 1.25 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.99 2h3c h GLU 54 CO 0.61 -0.28 -0.00 0.28 -1.16 0.00 0.00 179.01 178.46 2h3c n VAL 55 N -3.89 0.00 -4.45 3.13 0.31 -1.26 -3.30 118.33 108.87 2h3c n VAL 55 Ca -0.05 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.88 2h3c n VAL 55 Cb 0.21 -1.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.08 2h3c n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2h3c n ALA 56 N 1.00 -1.31 -3.79 3.52 0.00 -1.26 -4.90 120.51 113.78 2h3c n ALA 56 Ca -0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 53.44 52.95 2h3c n ALA 56 Cb 0.50 -2.55 -0.14 0.00 0.00 0.00 0.00 19.45 17.25 2h3c n ALA 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2h3c s ARG 57 N -7.18 1.12 0.30 0.00 3.52 -1.21 -5.09 118.95 110.41 2h3c s ARG 57 Ca 0.72 -1.63 -0.20 0.00 -0.13 0.00 0.00 55.73 54.50 2h3c s ARG 57 Cb -0.42 -2.39 0.04 0.00 -1.56 0.00 0.00 34.95 30.62 2h3c s ARG 57 CO 1.00 -1.05 0.80 0.12 -0.81 0.00 0.00 175.30 175.36 2h3c s PHE 58 N 0.94 -0.05 0.00 5.12 5.36 -1.26 -5.11 117.98 122.98 2h3c s PHE 58 Ca 0.13 -0.47 0.00 0.00 -0.96 0.00 0.00 56.93 55.63 2h3c s PHE 58 Cb -0.21 0.75 0.00 0.00 -0.34 0.00 0.00 43.02 43.23 2h3c s PHE 58 CO -0.12 -1.30 0.00 0.44 -1.46 0.00 0.00 175.22 172.78 2h3c n ILE 59 N -0.51 0.00 -4.79 3.12 -5.35 -1.26 -5.05 119.36 105.53 2h3c n ILE 59 Ca -0.06 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 2h3c n ILE 59 Cb 0.60 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 2h3c n ILE 59 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2h3c n GLU 60 N 0.00 0.00 -1.44 6.28 1.02 -1.26 -3.75 120.64 121.49 2h3c n GLU 60 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 2h3c n GLU 60 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.49 2h3c n GLU 60 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 2h3c n MET 61 N -0.96 2.70 0.00 3.49 1.56 -1.26 -4.84 117.12 117.81 2h3c n MET 61 Ca 0.00 -3.33 0.00 0.00 -0.27 0.00 0.00 57.70 54.10 2h3c n MET 61 Cb 0.00 -2.29 0.00 0.00 2.15 0.00 0.00 33.22 33.08 2h3c n MET 61 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 2h3c n ASN 62 N -0.85 0.00 0.00 6.12 5.15 -1.25 -4.87 115.26 119.56 2h3c n ASN 62 Ca 0.61 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.59 2h3c n ASN 62 Cb 0.58 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.83 2h3c n ASN 62 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2h3c n GLY 63 N 0.00 -1.23 0.00 8.20 0.00 -1.26 -4.98 105.19 105.92 2h3c n GLY 63 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2h3c n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2h3c n SER 64 N -1.30 0.00 0.00 1.61 7.64 -1.26 -5.07 113.62 115.24 2h3c n SER 64 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2h3c n SER 64 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2h3c n SER 64 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2h3c n PHE 65 N -0.09 0.00 0.00 1.43 -1.74 -1.26 -5.12 117.46 110.68 2h3c n PHE 65 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 2h3c n PHE 65 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 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 -0.39 0.00 -0.59 1.98 0.00 -1.26 -5.03 120.51 115.22 2h3c n ALA 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2h3c n ALA 66 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.86 0.00 -0.07 0.00 -0.08 -1.26 -4.68 116.55 109.60 2h3c n ASP 67 Ca 0.00 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.20 2h3c n ASP 67 Cb 0.00 0.19 -0.15 0.00 2.34 0.00 0.00 41.12 43.50 2h3c n ASP 67 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2h3c n GLU 68 N -1.55 0.67 -1.24 -0.67 -0.00 -1.26 -4.97 120.64 111.62 2h3c n GLU 68 Ca 0.00 0.08 -0.54 0.00 -0.00 0.00 0.00 57.16 56.70 2h3c n GLU 68 Cb 0.00 -1.61 -0.10 0.00 -0.00 0.00 0.00 31.44 29.73 2h3c n GLU 68 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2h3c n ASN 69 N -2.82 0.80 -3.17 -1.84 3.02 -1.26 -4.90 115.26 105.09 2h3c n ASN 69 Ca -0.26 0.75 0.05 0.00 -0.03 0.00 0.00 54.58 55.09 2h3c n ASN 69 Cb 1.09 -0.76 -0.02 0.00 -0.61 0.00 0.00 39.78 39.48 2h3c n ASN 69 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2h3c s LYS 70 N 4.14 0.17 0.24 3.52 2.20 -1.26 -4.88 119.74 123.87 2h3c s LYS 70 Ca 0.98 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 2h3c s LYS 70 Cb -1.28 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 35.22 2h3c s LYS 70 CO 0.62 -0.18 0.00 -3.47 -0.36 0.00 0.00 175.35 171.96 2h3c n ASP 71 N 5.41 -0.13 0.00 1.43 -0.08 -1.26 -5.27 116.55 116.66 2h3c n ASP 71 Ca -0.07 0.41 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 2h3c n ASP 71 Cb 0.54 0.33 0.00 0.00 2.34 0.00 0.00 41.12 44.33 2h3c n ASP 71 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19