#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 1.74 -0.31 3.17 2.47 -1.26 -5.14 119.74 120.41 2h3c s LYS 2 Ca 0.00 -1.06 0.02 0.00 -1.56 0.00 0.00 55.97 53.37 2h3c s LYS 2 Cb 0.00 0.53 0.09 0.00 -1.46 0.00 0.00 37.83 36.99 2h3c s LYS 2 CO 0.00 -0.81 0.04 -1.14 0.16 0.00 0.00 175.35 173.60 2h3c s GLN 3 N -2.83 1.35 -0.44 4.03 2.00 -1.26 -5.07 119.66 117.44 2h3c s GLN 3 Ca 0.15 -1.51 -0.29 0.00 -2.00 0.00 0.00 55.36 51.72 2h3c s GLN 3 Cb -0.04 -2.78 0.03 0.00 0.80 0.00 0.00 33.01 31.01 2h3c s GLN 3 CO 0.07 -0.88 1.15 0.50 -0.50 0.00 0.00 175.29 175.64 2h3c s ARG 4 N 1.17 3.78 -0.21 1.67 3.52 -1.26 -4.99 118.95 122.64 2h3c s ARG 4 Ca 0.07 0.70 -0.04 0.00 -0.13 0.00 0.00 55.73 56.32 2h3c s ARG 4 Cb -0.19 -3.89 -0.02 0.00 -1.56 0.00 0.00 34.95 29.30 2h3c s ARG 4 CO -0.12 -1.31 -0.02 0.96 -0.81 0.00 0.00 175.30 174.00 2h3c s ILE 5 N 4.38 3.66 -0.04 4.11 -5.25 -1.26 -5.09 121.20 121.70 2h3c s ILE 5 Ca 0.49 -0.41 0.02 0.00 -0.99 0.00 0.00 60.65 59.76 2h3c s ILE 5 Cb -0.09 -2.65 0.01 0.00 2.95 0.00 0.00 42.46 42.68 2h3c s ILE 5 CO 0.29 0.43 -0.09 0.28 -1.79 0.00 0.00 174.94 174.06 2h3c s THR 6 N 1.19 0.83 -0.38 8.37 -1.32 -1.26 -5.10 115.64 117.97 2h3c s THR 6 Ca 0.03 -0.33 -0.14 0.00 -1.21 0.00 0.00 61.69 60.04 2h3c s THR 6 Cb -0.14 -0.78 0.01 0.00 -1.51 0.00 0.00 72.50 70.07 2h3c s THR 6 CO 0.00 0.28 0.27 0.54 -2.21 0.00 0.00 174.62 173.50 2h3c s VAL 7 N 0.57 5.24 -1.16 5.08 0.11 -1.26 -4.99 120.40 123.99 2h3c s VAL 7 Ca -0.10 -0.49 -0.22 0.00 -2.93 0.00 0.00 61.98 58.24 2h3c s VAL 7 Cb -0.13 -3.83 -0.07 0.00 -1.53 0.00 0.00 36.38 30.83 2h3c s VAL 7 CO 0.02 -0.19 1.91 0.42 -3.33 0.00 0.00 175.10 173.93 2h3c s THR 8 N 1.69 3.59 0.00 5.04 -4.23 -1.26 -4.89 115.64 115.59 2h3c s THR 8 Ca 0.05 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 2h3c s THR 8 Cb -0.18 -4.57 0.00 0.00 1.34 0.00 0.00 72.50 69.09 2h3c s THR 8 CO 0.10 -1.09 0.00 1.33 -0.54 0.00 0.00 174.62 174.42 2h3c n VAL 9 N 7.67 0.00 0.00 2.29 0.24 -1.26 -4.71 118.33 122.56 2h3c n VAL 9 Ca 0.44 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.74 2h3c n VAL 9 Cb 0.47 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 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 0.04 -1.34 2.03 -1.26 -4.67 116.55 111.35 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 0.68 0.00 1.67 2.88 -1.26 -5.01 113.62 112.57 2h3c n SER 11 Ca 0.00 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2h3c n SER 11 Cb 0.00 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 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 -3.19 0.00 -1.98 -3.46 9.92 -1.26 -4.93 116.55 111.65 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 0.00 0.00 0.03 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 -0.57 0.11 -2.24 7.64 -1.26 -5.03 113.62 112.27 2h3c n SER 13 Ca 0.00 -1.43 -0.23 0.00 1.01 0.00 0.00 58.87 58.22 2h3c n SER 13 Cb 0.00 0.34 -0.15 0.00 -1.01 0.00 0.00 64.21 63.38 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 0.46 0.82 -0.72 1.43 3.20 -1.98 -3.38 116.97 116.80 2h3c h TYR 14 Ca -0.20 -0.60 0.16 0.00 3.14 0.00 0.00 58.73 61.23 2h3c h TYR 14 Cb 1.11 -0.03 -0.11 0.00 1.54 0.00 0.00 36.73 39.24 2h3c h TYR 14 CO -0.16 1.50 0.13 -0.56 -1.64 0.00 0.00 178.16 177.43 2h3c h GLN 15 N -0.04 0.22 -0.68 1.82 3.07 -1.98 -1.92 115.11 115.61 2h3c h GLN 15 Ca -0.23 -0.01 0.10 0.00 0.09 0.00 0.00 58.65 58.60 2h3c h GLN 15 Cb 1.99 -0.05 -0.08 0.00 0.08 0.00 0.00 27.48 29.42 2h3c h GLN 15 CO 0.22 0.14 0.29 1.25 0.09 0.00 0.00 178.83 180.82 2h3c h LEU 16 N 0.22 0.32 -0.14 0.06 6.46 -1.97 2.18 115.31 122.44 2h3c h LEU 16 Ca 0.40 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 58.23 2h3c h LEU 16 Cb 0.68 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 2h3c h LEU 16 CO -0.53 0.17 0.05 0.25 -0.62 0.00 0.00 178.44 177.76 2h3c h LEU 17 N 0.48 0.19 -0.31 2.25 6.46 -1.58 -2.33 115.31 120.46 2h3c h LEU 17 Ca 0.35 -0.18 -0.18 0.00 -0.12 0.00 0.00 57.88 57.75 2h3c h LEU 17 Cb 0.43 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.29 2h3c h LEU 17 CO -0.32 0.32 -0.84 0.07 -0.62 0.00 0.00 178.44 177.04 2h3c h LYS 18 N 0.05 0.00 0.00 1.25 2.10 -1.13 -1.48 116.57 117.37 2h3c h LYS 18 Ca 0.04 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.67 2h3c h LYS 18 Cb 0.19 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.51 2h3c h LYS 18 CO -0.00 0.84 -0.10 0.00 -2.00 0.00 0.00 179.45 178.19 2h3c h ALA 19 N 1.16 1.81 0.09 0.07 0.00 0.37 -2.85 119.26 119.90 2h3c h ALA 19 Ca -0.01 -0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.51 2h3c h ALA 19 Cb 1.50 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2h3c h ALA 19 CO 0.11 0.13 -1.63 0.10 0.00 0.00 0.00 179.25 177.95 2h3c h TYR 20 N 0.00 0.35 0.00 0.00 -0.00 -1.33 -3.49 116.97 112.50 2h3c h TYR 20 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 58.73 58.47 2h3c h TYR 20 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 36.73 36.90 2h3c h TYR 20 CO 0.00 1.64 0.00 -0.25 -0.00 0.00 0.00 178.16 179.55 2h3c n ASP 21 N -3.86 0.00 -3.23 0.10 9.92 -0.86 -4.79 116.55 113.83 2h3c n ASP 21 Ca -0.30 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 53.83 2h3c n ASP 21 Cb 0.91 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 41.34 2h3c n ASP 21 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2h3c s VAL 22 N 0.00 -0.45 -0.59 2.53 1.01 -0.61 -4.93 120.40 117.36 2h3c s VAL 22 Ca 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 61.98 60.80 2h3c s VAL 22 Cb 0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 36.38 35.69 2h3c s VAL 22 CO 0.00 -0.49 2.89 0.59 0.00 0.00 0.00 175.10 178.09 2h3c n ASN 23 N 3.78 5.63 0.00 3.32 4.13 -1.26 -3.55 115.26 127.31 2h3c n ASN 23 Ca 0.16 -2.38 0.00 0.00 1.68 0.00 0.00 54.58 54.03 2h3c n ASN 23 Cb 0.49 -1.27 0.00 0.00 -1.54 0.00 0.00 39.78 37.47 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 3.13 0.00 -0.24 2.41 -6.64 -1.26 -4.75 119.36 112.00 2h3c n ILE 24 Ca 0.49 0.00 -0.06 0.00 -1.77 0.00 0.00 62.75 61.40 2h3c n ILE 24 Cb 0.51 0.00 -0.06 0.00 -1.44 0.00 0.00 39.64 38.66 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 -0.61 0.02 7.28 2.88 -1.26 0.56 113.62 122.49 2h3c n SER 25 Ca 0.00 1.38 -0.13 0.00 -1.33 0.00 0.00 58.87 58.79 2h3c n SER 25 Cb 0.00 -0.31 -0.14 0.00 -0.75 0.00 0.00 64.21 63.01 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 0.13 0.23 0.46 0.00 -1.97 -3.29 103.07 98.63 2h3c h GLY 26 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2h3c h GLY 26 CO -0.54 0.30 -0.44 -2.00 0.00 0.00 0.00 176.54 173.86 2h3c h LEU 27 N 0.03 -1.28 0.12 3.11 7.12 -1.79 0.66 115.31 123.29 2h3c h LEU 27 Ca -0.27 0.12 -0.00 0.00 0.13 0.00 0.00 57.88 57.87 2h3c h LEU 27 Cb 1.99 0.45 -0.01 0.00 -0.53 0.00 0.00 40.66 42.56 2h3c h LEU 27 CO 0.11 -0.51 -0.19 0.58 -0.13 0.00 0.00 178.44 178.30 2h3c h VAL 28 N -0.72 0.00 -0.91 1.05 2.07 -0.07 1.09 116.25 118.76 2h3c h VAL 28 Ca -0.02 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.67 2h3c h VAL 28 Cb 0.68 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.35 2h3c h VAL 28 CO -0.17 0.00 0.49 0.28 0.02 0.00 0.00 177.57 178.19 2h3c h SER 29 N -0.33 0.57 0.19 0.57 0.02 -1.62 1.73 113.55 114.68 2h3c h SER 29 Ca -0.01 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2h3c h SER 29 Cb 0.31 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2h3c h SER 29 CO -0.06 0.19 -0.09 0.74 -1.14 0.00 0.00 176.83 176.47 2h3c h THR 30 N 0.62 0.83 -0.98 -2.27 2.02 0.61 0.89 112.91 114.63 2h3c h THR 30 Ca 0.52 -1.01 0.13 0.00 0.77 0.00 0.00 66.41 66.82 2h3c h THR 30 Cb 0.82 1.35 -0.08 0.00 -1.74 0.00 0.00 68.15 68.50 2h3c h THR 30 CO -0.40 0.20 0.62 0.74 0.37 0.00 0.00 175.52 177.04 2h3c h THR 31 N -0.83 0.88 0.09 3.16 2.02 0.18 -1.80 112.91 116.61 2h3c h THR 31 Ca -0.03 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 2h3c h THR 31 Cb 0.52 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2h3c h THR 31 CO 0.04 0.16 -0.04 0.24 0.37 0.00 0.00 175.52 176.29 2h3c h MET 32 N 0.90 -0.12 -1.09 6.66 2.86 0.27 -2.53 114.93 121.88 2h3c h MET 32 Ca 0.49 0.01 0.30 0.00 -2.06 0.00 0.00 59.70 58.44 2h3c h MET 32 Cb 0.59 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.20 2h3c h MET 32 CO -0.26 0.20 0.75 0.37 1.06 0.00 0.00 176.91 179.02 2h3c h GLN 33 N -0.44 0.19 0.54 1.72 4.15 0.03 3.85 115.11 125.15 2h3c h GLN 33 Ca -0.01 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 2h3c h GLN 33 Cb 0.37 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.03 2h3c h GLN 33 CO 0.02 0.13 -0.26 -0.97 -1.93 0.00 0.00 178.83 175.82 2h3c h ASN 34 N 0.20 -0.61 0.92 -0.69 -0.73 -1.13 0.98 115.58 114.52 2h3c h ASN 34 Ca 0.58 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.69 2h3c h ASN 34 Cb 1.85 0.16 0.00 0.00 0.27 0.00 0.00 38.32 40.60 2h3c h ASN 34 CO -0.16 -0.27 0.00 -0.62 -0.37 0.00 0.00 177.43 176.01 2h3c n GLU 35 N -5.31 0.02 0.01 6.67 -0.58 0.09 -1.24 120.64 120.29 2h3c n GLU 35 Ca -0.11 0.07 -0.06 0.00 -0.42 0.00 0.00 57.16 56.63 2h3c n GLU 35 Cb 0.33 -1.52 -0.12 0.00 -0.57 0.00 0.00 31.44 29.55 2h3c n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2h3c h ALA 36 N 2.86 0.69 0.00 0.62 0.00 0.74 0.41 119.26 124.59 2h3c h ALA 36 Ca 0.00 -1.23 -0.03 0.00 0.00 0.00 0.00 54.91 53.65 2h3c h ALA 36 Cb 0.46 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2h3c h ALA 36 CO 0.00 1.37 -0.20 0.00 0.00 0.00 0.00 179.25 180.42 2h3c h ARG 37 N 0.00 0.00 0.04 0.00 3.08 0.13 -3.37 114.38 114.26 2h3c h ARG 37 Ca -0.21 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.61 2h3c h ARG 37 Cb 1.87 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.91 2h3c h ARG 37 CO 0.08 0.60 -1.03 0.00 -1.07 0.00 0.00 179.97 178.55 2h3c h ARG 38 N -1.00 0.19 -6.75 0.04 -0.00 -1.35 -3.48 114.38 102.02 2h3c h ARG 38 Ca -0.05 -0.26 -0.55 0.00 -0.50 0.00 0.00 59.98 58.63 2h3c h ARG 38 Cb 0.68 0.09 0.01 0.00 0.00 0.00 0.00 29.97 30.75 2h3c h ARG 38 CO -0.03 1.06 -0.99 1.28 0.00 0.00 0.00 179.97 181.29 2h3c n LEU 39 N -3.55 -1.02 -2.74 3.04 4.32 0.13 -4.94 117.00 112.25 2h3c n LEU 39 Ca -0.05 -1.20 -0.07 0.00 -0.02 0.00 0.00 56.01 54.67 2h3c n LEU 39 Cb 0.91 -1.81 0.05 0.00 -1.62 0.00 0.00 43.42 40.95 2h3c n LEU 39 CO 0.50 0.69 0.27 -1.14 -1.22 0.00 0.00 177.39 176.48 2h3c n ARG 40 N -4.64 0.66 0.05 3.23 0.00 -1.26 -5.00 116.66 109.70 2h3c n ARG 40 Ca -0.12 -1.56 -0.21 0.00 -0.00 0.00 0.00 57.85 55.95 2h3c n ARG 40 Cb 0.58 -1.25 -0.15 0.00 0.00 0.00 0.00 32.46 31.64 2h3c n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2h3c h ALA 41 N 3.90 0.26 0.00 5.13 0.00 -1.92 -3.48 119.26 123.15 2h3c h ALA 41 Ca -0.16 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.54 2h3c h ALA 41 Cb 1.06 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2h3c h ALA 41 CO 0.23 1.13 0.00 -1.91 0.00 0.00 0.00 179.25 178.69 2h3c n GLU 42 N -3.53 0.00 0.00 0.00 2.13 -1.26 -4.36 120.64 113.61 2h3c n GLU 42 Ca -0.25 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.57 2h3c n GLU 42 Cb 1.07 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.78 2h3c n GLU 42 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 2h3c n ARG 43 N 0.00 0.00 -3.89 5.31 1.85 -1.26 -5.16 116.66 113.51 2h3c n ARG 43 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.50 2h3c n ARG 43 Cb 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.33 2h3c n ARG 43 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2h3c s TRP 44 N 0.00 3.39 0.04 2.89 0.52 -1.26 -5.09 118.94 119.42 2h3c s TRP 44 Ca 0.00 0.29 -0.10 0.00 0.02 0.00 0.00 56.10 56.31 2h3c s TRP 44 Cb 0.00 -2.06 0.01 0.00 -1.15 0.00 0.00 33.47 30.27 2h3c s TRP 44 CO 0.00 0.37 0.21 0.21 0.02 0.00 0.00 176.95 177.75 2h3c s LYS 45 N -0.05 0.70 0.42 4.98 2.47 -1.26 -5.18 119.74 121.83 2h3c s LYS 45 Ca 0.08 -0.62 0.08 0.00 -1.56 0.00 0.00 55.97 53.95 2h3c s LYS 45 Cb -0.12 0.29 -0.01 0.00 -1.46 0.00 0.00 37.83 36.53 2h3c s LYS 45 CO 0.00 -0.21 0.41 0.14 0.16 0.00 0.00 175.35 175.85 2h3c s VAL 46 N -2.56 2.66 -0.02 4.02 -7.23 -1.26 -5.09 120.40 110.91 2h3c s VAL 46 Ca -0.05 -1.30 -0.00 0.00 -1.81 0.00 0.00 61.98 58.81 2h3c s VAL 46 Cb -0.01 -2.96 -0.00 0.00 0.56 0.00 0.00 36.38 33.97 2h3c s VAL 46 CO -0.04 0.00 -0.00 -0.08 -0.31 0.00 0.00 175.10 174.67 2h3c h GLU 47 N 0.96 0.00 -6.15 4.82 4.22 -2.06 -3.48 114.58 112.88 2h3c h GLU 47 Ca -0.41 0.00 -0.53 0.00 0.08 0.00 0.00 59.36 58.51 2h3c h GLU 47 Cb 1.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2h3c h GLU 47 CO 0.56 0.00 -0.31 -0.80 -2.18 0.00 0.00 179.01 176.28 2h3c s ASN 48 N -3.54 4.90 0.00 1.04 0.02 -1.26 -5.11 114.94 110.99 2h3c s ASN 48 Ca -0.00 -0.95 0.00 0.00 -1.02 0.00 0.00 52.86 50.89 2h3c s ASN 48 Cb 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 41.25 41.19 2h3c s ASN 48 CO 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 177.10 176.20 2h3c n GLN 49 N -1.73 0.00 -1.34 -0.60 6.02 -1.26 -5.07 117.38 113.40 2h3c n GLN 49 Ca 0.03 0.01 0.18 0.00 -0.01 0.00 0.00 57.00 57.21 2h3c n GLN 49 Cb 0.63 -0.47 -0.05 0.00 1.02 0.00 0.00 30.24 31.37 2h3c n GLN 49 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2h3c n GLU 50 N -0.61 -2.74 0.00 -1.09 4.71 -1.26 -5.06 120.64 114.59 2h3c n GLU 50 Ca 0.00 1.90 0.00 0.00 -0.01 0.00 0.00 57.16 59.05 2h3c n GLU 50 Cb 0.00 -3.33 0.00 0.00 -1.01 0.00 0.00 31.44 27.10 2h3c n GLU 50 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2h3c n GLY 51 N -3.99 -1.27 0.00 0.62 0.00 -1.26 -5.17 105.19 94.13 2h3c n GLY 51 Ca -0.01 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2h3c n GLY 51 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2h3c n MET 52 N 0.00 0.00 -2.01 1.61 1.56 -1.26 -5.01 117.12 112.01 2h3c n MET 52 Ca 0.00 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 57.14 2h3c n MET 52 Cb 0.00 0.00 0.06 0.00 2.15 0.00 0.00 33.22 35.43 2h3c n MET 52 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 2h3c s VAL 53 N -2.13 2.81 1.20 1.12 1.01 -1.26 -5.08 120.40 118.08 2h3c s VAL 53 Ca 0.00 0.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 2h3c s VAL 53 Cb 0.00 -3.24 0.31 0.00 0.00 0.00 0.00 36.38 33.45 2h3c s VAL 53 CO 0.00 -0.29 0.84 -0.62 0.00 0.00 0.00 175.10 175.03 2h3c n GLU 54 N -3.04 -3.88 -2.21 2.72 -0.58 -1.26 -5.04 120.64 107.35 2h3c n GLU 54 Ca 0.07 -1.38 -0.02 0.00 -0.42 0.00 0.00 57.16 55.41 2h3c n GLU 54 Cb 0.59 -1.57 0.06 0.00 -0.57 0.00 0.00 31.44 29.95 2h3c n GLU 54 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2h3c n VAL 55 N -5.12 0.00 -0.10 2.62 3.14 -1.26 -4.89 118.33 112.72 2h3c n VAL 55 Ca 0.13 -0.60 -0.07 0.00 -2.96 0.00 0.00 64.34 60.83 2h3c n VAL 55 Cb 0.52 0.76 -0.01 0.00 -1.06 0.00 0.00 33.84 34.05 2h3c n VAL 55 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2h3c h ALA 56 N 0.70 -0.08 0.00 1.55 0.00 -1.96 -3.45 119.26 116.01 2h3c h ALA 56 Ca -0.27 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2h3c h ALA 56 Cb 1.17 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2h3c h ALA 56 CO -0.11 -0.66 0.00 -2.13 0.00 0.00 0.00 179.25 176.35 2h3c n ARG 57 N -5.40 0.00 0.00 0.00 0.00 -1.26 -4.32 116.66 105.68 2h3c n ARG 57 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 2h3c n ARG 57 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.78 2h3c n ARG 57 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2h3c n PHE 58 N 0.00 0.00 -3.70 -0.14 -0.00 -1.26 -4.81 117.46 107.55 2h3c n PHE 58 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.33 2h3c n PHE 58 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 39.48 39.35 2h3c n PHE 58 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 2h3c s ILE 59 N 0.00 -0.20 0.00 -2.13 1.01 -1.26 -5.07 121.20 113.55 2h3c s ILE 59 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.84 2h3c s ILE 59 Cb 0.00 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 42.03 2h3c s ILE 59 CO 0.00 0.08 0.00 1.21 0.00 0.00 0.00 174.94 176.23 2h3c n GLU 60 N 4.69 0.00 -4.07 2.79 0.00 -1.26 -5.13 120.64 117.65 2h3c n GLU 60 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 56.85 2h3c n GLU 60 Cb 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 31.83 2h3c n GLU 60 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.13 175.49 2h3c s MET 61 N -0.68 0.44 0.27 5.31 -1.94 -1.26 -5.14 119.30 116.30 2h3c s MET 61 Ca 0.00 -0.50 -0.29 0.00 -1.71 0.00 0.00 55.69 53.18 2h3c s MET 61 Cb 0.00 -0.27 -0.09 0.00 2.01 0.00 0.00 34.83 36.47 2h3c s MET 61 CO 0.00 0.06 1.18 1.21 -0.01 0.00 0.00 175.02 177.46 2h3c s ASN 62 N -0.98 7.10 0.00 3.03 3.84 -1.26 -4.90 114.94 121.77 2h3c s ASN 62 Ca -0.06 2.38 0.00 0.00 0.21 0.00 0.00 52.86 55.39 2h3c s ASN 62 Cb -0.07 -2.63 0.00 0.00 -0.55 0.00 0.00 41.25 38.00 2h3c s ASN 62 CO 0.00 -0.30 0.00 0.61 -2.79 0.00 0.00 177.10 174.62 2h3c n GLY 63 N 1.31 0.00 3.57 1.21 0.00 -1.26 -5.08 105.19 104.94 2h3c n GLY 63 Ca 0.00 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 6.60 -0.23 1.61 1.04 -1.26 -4.70 113.70 116.76 2h3c s SER 64 Ca 0.00 -1.84 -0.12 0.00 0.48 0.00 0.00 55.95 54.47 2h3c s SER 64 Cb 0.00 -2.57 -0.17 0.00 0.10 0.00 0.00 66.02 63.38 2h3c s SER 64 CO 0.00 -1.41 -0.07 0.49 0.98 0.00 0.00 173.24 173.23 2h3c n PHE 65 N 8.82 0.46 -1.25 5.02 3.01 -1.26 -4.51 117.46 127.76 2h3c n PHE 65 Ca 0.40 0.16 0.07 0.00 1.01 0.00 0.00 57.45 59.09 2h3c n PHE 65 Cb 0.49 -1.05 0.18 0.00 -0.01 0.00 0.00 39.48 39.09 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 -3.65 2.95 -1.26 4.37 0.00 -1.26 -5.11 120.51 116.55 2h3c n ALA 66 Ca -0.44 -2.84 0.17 0.00 0.00 0.00 0.00 53.44 50.34 2h3c n ALA 66 Cb 0.87 -0.45 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.21 -7.48 -3.66 0.00 9.92 -1.26 -4.71 116.55 108.16 2h3c n ASP 67 Ca 0.19 0.54 -0.05 0.00 -0.53 0.00 0.00 54.79 54.95 2h3c n ASP 67 Cb 0.72 -3.84 -0.07 0.00 -0.64 0.00 0.00 41.12 37.30 2h3c n ASP 67 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2h3c s GLU 68 N -2.18 0.48 0.00 -1.24 2.12 -1.26 -5.01 118.70 111.61 2h3c s GLU 68 Ca 0.00 1.23 0.00 0.00 0.36 0.00 0.00 54.97 56.56 2h3c s GLU 68 Cb 0.00 0.54 0.00 0.00 0.26 0.00 0.00 34.13 34.93 2h3c s GLU 68 CO 0.00 -0.21 0.00 0.27 -0.54 0.00 0.00 175.26 174.78 2h3c n ASN 69 N 5.25 0.00 0.00 -1.70 0.23 -1.26 -5.15 115.26 112.62 2h3c n ASN 69 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.93 2h3c n ASN 69 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 2h3c n ASN 69 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2h3c n LYS 70 N 0.00 0.00 -0.98 -3.83 3.00 -1.26 -5.03 118.16 110.06 2h3c n LYS 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2h3c n LYS 70 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2h3c n LYS 70 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2h3c n ASP 71 N 0.00 -4.28 0.00 3.14 9.92 -1.26 -5.09 116.55 118.98 2h3c n ASP 71 Ca 0.00 0.45 0.00 0.00 -0.53 0.00 0.00 54.79 54.71 2h3c n ASP 71 Cb 0.00 -2.21 0.00 0.00 -0.64 0.00 0.00 41.12 38.27 2h3c n ASP 71 CO 0.00 0.00 0.00 -2.67 0.13 0.00 0.00 177.20 174.66