#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3a n LYS 2 N 0.00 0.00 -3.62 0.03 4.76 -1.26 -4.90 118.16 113.18 2h3a n LYS 2 Ca 0.00 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.06 2h3a n LYS 2 Cb 0.00 -1.26 -0.11 0.00 -1.84 0.00 0.00 35.03 31.82 2h3a n LYS 2 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2h3a s GLN 3 N 0.10 3.72 -0.71 1.97 2.00 -1.26 -5.04 119.66 120.45 2h3a s GLN 3 Ca 0.77 -0.47 -0.27 0.00 -2.00 0.00 0.00 55.36 53.39 2h3a s GLN 3 Cb -1.07 -3.61 0.03 0.00 0.80 0.00 0.00 33.01 29.15 2h3a s GLN 3 CO 0.49 -0.27 1.30 0.50 -0.50 0.00 0.00 175.29 176.81 2h3a s ARG 4 N 1.70 3.21 -0.19 1.67 3.52 -1.26 -4.98 118.95 122.63 2h3a s ARG 4 Ca 0.06 -0.11 -0.07 0.00 -0.13 0.00 0.00 55.73 55.49 2h3a s ARG 4 Cb -0.16 -4.16 -0.04 0.00 -1.56 0.00 0.00 34.95 29.02 2h3a s ARG 4 CO 0.09 -2.11 0.05 0.96 -0.81 0.00 0.00 175.30 173.49 2h3a s ILE 5 N 5.80 4.64 -0.08 4.11 -4.36 -1.26 -5.09 121.20 124.97 2h3a s ILE 5 Ca 0.38 -0.08 0.00 0.00 -0.26 0.00 0.00 60.65 60.69 2h3a s ILE 5 Cb -0.08 -3.10 0.02 0.00 1.25 0.00 0.00 42.46 40.55 2h3a s ILE 5 CO 0.17 0.45 -0.07 0.28 0.24 0.00 0.00 174.94 176.01 2h3a s THR 6 N 0.51 0.82 -0.46 8.37 -1.32 -1.26 -5.09 115.64 117.21 2h3a s THR 6 Ca 0.02 -0.22 -0.14 0.00 -1.21 0.00 0.00 61.69 60.14 2h3a s THR 6 Cb -0.13 -0.84 0.08 0.00 -1.51 0.00 0.00 72.50 70.10 2h3a s THR 6 CO 0.01 0.31 0.37 0.54 -2.21 0.00 0.00 174.62 173.65 2h3a s VAL 7 N 1.33 5.05 -0.96 5.08 0.11 -1.26 -5.00 120.40 124.74 2h3a s VAL 7 Ca -0.03 -1.14 -0.24 0.00 -2.93 0.00 0.00 61.98 57.64 2h3a s VAL 7 Cb -0.14 -4.03 -0.06 0.00 -1.53 0.00 0.00 36.38 30.62 2h3a s VAL 7 CO -0.03 -0.57 1.97 0.42 -3.33 0.00 0.00 175.10 173.56 2h3a s THR 8 N 1.60 3.44 0.00 5.04 -4.23 -1.26 -4.89 115.64 115.34 2h3a s THR 8 Ca 0.04 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 2h3a s THR 8 Cb -0.24 -4.08 0.00 0.00 1.34 0.00 0.00 72.50 69.52 2h3a s THR 8 CO 0.06 -0.90 0.00 0.52 -0.54 0.00 0.00 174.62 173.76 2h3a n VAL 9 N 7.93 0.00 -0.31 2.29 0.31 -1.26 -4.77 118.33 122.52 2h3a n VAL 9 Ca 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.75 2h3a n VAL 9 Cb 0.47 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 2h3a n VAL 9 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2h3a n ASP 10 N 0.00 0.00 0.01 4.52 -0.08 -1.26 -4.75 116.55 114.99 2h3a n ASP 10 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2h3a n ASP 10 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2h3a n ASP 10 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2h3a n SER 11 N 0.00 0.22 0.00 1.67 2.88 -1.26 -4.99 113.62 112.14 2h3a n SER 11 Ca 0.00 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2h3a n SER 11 Cb 0.00 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 2h3a n SER 11 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2h3a n ASP 12 N -2.73 0.00 -1.90 -3.46 9.92 -1.26 -4.90 116.55 112.22 2h3a n ASP 12 Ca 0.00 0.13 -0.01 0.00 -0.53 0.00 0.00 54.79 54.38 2h3a n ASP 12 Cb 0.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 2h3a n ASP 12 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2h3a n SER 13 N -0.19 -0.42 0.03 -2.24 7.64 -1.26 -5.04 113.62 112.14 2h3a n SER 13 Ca 0.00 -1.27 -0.20 0.00 1.01 0.00 0.00 58.87 58.40 2h3a n SER 13 Cb 0.00 0.32 -0.14 0.00 -1.01 0.00 0.00 64.21 63.37 2h3a n SER 13 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2h3a h TYR 14 N 0.38 0.47 -0.99 1.43 3.20 -1.97 -3.38 116.97 116.11 2h3a h TYR 14 Ca -0.19 -0.35 0.22 0.00 3.14 0.00 0.00 58.73 61.55 2h3a h TYR 14 Cb 1.09 -0.02 -0.12 0.00 1.54 0.00 0.00 36.73 39.22 2h3a h TYR 14 CO -0.17 1.40 0.57 1.96 -1.64 0.00 0.00 178.16 180.29 2h3a h GLN 15 N -0.39 0.62 0.20 1.82 7.50 -1.97 -2.43 115.11 120.46 2h3a h GLN 15 Ca -0.20 -0.04 0.01 0.00 0.50 0.00 0.00 58.65 58.91 2h3a h GLN 15 Cb 1.66 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 29.03 2h3a h GLN 15 CO 0.10 0.41 -0.22 -0.07 -1.50 0.00 0.00 178.83 177.55 2h3a h LEU 16 N 0.64 -0.60 -0.62 1.46 3.38 -1.96 1.82 115.31 119.42 2h3a h LEU 16 Ca 0.60 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.76 2h3a h LEU 16 Cb 1.06 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.92 2h3a h LEU 16 CO -0.44 -0.33 0.01 -0.07 0.09 0.00 0.00 178.44 177.71 2h3a h LEU 17 N -0.47 -0.25 -0.08 1.67 -0.00 -1.65 0.27 115.31 114.80 2h3a h LEU 17 Ca 0.00 0.15 -0.21 0.00 -0.00 0.00 0.00 57.88 57.83 2h3a h LEU 17 Cb 0.45 0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 41.34 2h3a h LEU 17 CO -0.07 -0.11 -0.97 0.07 -0.00 0.00 0.00 178.44 177.36 2h3a h LYS 18 N 0.13 0.02 0.00 1.13 2.10 -1.45 0.26 116.57 118.77 2h3a h LYS 18 Ca 0.32 -0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 58.91 2h3a h LYS 18 Cb 0.52 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.86 2h3a h LYS 18 CO -0.52 0.98 -0.14 0.00 -2.00 0.00 0.00 179.45 177.77 2h3a h ALA 19 N 1.01 1.51 0.08 0.07 0.00 0.45 -2.82 119.26 119.56 2h3a h ALA 19 Ca -0.02 -0.13 -0.27 0.00 0.00 0.00 0.00 54.91 54.49 2h3a h ALA 19 Cb 1.71 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 2h3a h ALA 19 CO 0.13 0.18 -1.45 0.10 0.00 0.00 0.00 179.25 178.21 2h3a h TYR 20 N 0.00 0.32 0.00 0.00 -0.00 -0.52 -3.49 116.97 113.28 2h3a h TYR 20 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 58.73 58.49 2h3a h TYR 20 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 36.73 37.01 2h3a h TYR 20 CO 0.00 1.57 0.00 -3.47 -0.00 0.00 0.00 178.16 176.26 2h3a n ASP 21 N -3.99 0.00 -3.25 0.10 2.03 -0.99 -5.12 116.55 105.34 2h3a n ASP 21 Ca -0.28 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.00 2h3a n ASP 21 Cb 0.86 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.23 2h3a n ASP 21 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2h3a s VAL 22 N 0.00 -0.82 0.00 5.18 1.01 0.90 -4.96 120.40 121.71 2h3a s VAL 22 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2h3a s VAL 22 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.17 2h3a s VAL 22 CO 0.00 -0.15 0.00 -0.46 0.00 0.00 0.00 175.10 174.49 2h3a n ASN 23 N 4.40 0.00 0.00 3.32 2.04 -1.25 -3.19 115.26 120.58 2h3a n ASN 23 Ca 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.25 2h3a n ASN 23 Cb 0.54 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.79 2h3a n ASN 23 CO 0.00 0.00 0.00 2.30 -0.44 0.00 0.00 177.26 179.12 2h3a n ILE 24 N 0.00 0.00 -0.16 1.53 -6.64 -1.26 -4.49 119.36 108.34 2h3a n ILE 24 Ca 0.00 -0.00 -0.06 0.00 -1.77 0.00 0.00 62.75 60.92 2h3a n ILE 24 Cb 0.00 1.87 -0.05 0.00 -1.44 0.00 0.00 39.64 40.02 2h3a n ILE 24 CO 0.00 0.00 0.00 0.77 -1.77 0.00 0.00 176.55 175.55 2h3a h SER 25 N 0.00 -0.98 1.13 7.28 4.64 -1.99 1.31 113.55 124.94 2h3a h SER 25 Ca 0.00 0.14 -0.14 0.00 -0.47 0.00 0.00 61.79 61.32 2h3a h SER 25 Cb 0.56 0.43 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 2h3a h SER 25 CO 0.00 -0.14 -0.91 1.23 -0.87 0.00 0.00 176.83 176.14 2h3a h GLY 26 N -0.06 0.00 0.91 -0.77 0.00 -1.96 -3.29 103.07 97.90 2h3a h GLY 26 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 2h3a h GLY 26 CO -0.39 0.00 -0.41 -2.00 0.00 0.00 0.00 176.54 173.74 2h3a h LEU 27 N 0.00 -0.97 0.11 3.11 6.46 -1.62 -0.35 115.31 122.05 2h3a h LEU 27 Ca -0.07 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 2h3a h LEU 27 Cb 1.51 0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 41.68 2h3a h LEU 27 CO 0.06 -0.64 -0.20 0.58 -0.62 0.00 0.00 178.44 177.63 2h3a h VAL 28 N -1.26 0.00 -1.06 1.05 2.07 0.15 0.95 116.25 118.16 2h3a h VAL 28 Ca -0.12 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.68 2h3a h VAL 28 Cb 0.89 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.57 2h3a h VAL 28 CO 0.19 0.00 0.69 0.77 0.02 0.00 0.00 177.57 179.24 2h3a h SER 29 N -0.33 0.38 0.23 0.57 4.64 -1.66 1.79 113.55 119.17 2h3a h SER 29 Ca -0.01 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2h3a h SER 29 Cb 0.31 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2h3a h SER 29 CO -0.07 0.07 -0.11 0.74 -0.87 0.00 0.00 176.83 176.59 2h3a h THR 30 N 0.33 0.57 -0.71 2.95 2.02 -0.35 -2.52 112.91 115.21 2h3a h THR 30 Ca 0.59 -0.97 0.04 0.00 0.77 0.00 0.00 66.41 66.84 2h3a h THR 30 Cb 1.62 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 68.94 2h3a h THR 30 CO -0.26 0.15 0.47 0.00 0.37 0.00 0.00 175.52 176.24 2h3a h THR 31 N -0.95 1.10 0.20 3.16 1.03 0.20 -2.29 112.91 115.36 2h3a h THR 31 Ca -0.03 -0.29 0.01 0.00 -0.01 0.00 0.00 66.41 66.09 2h3a h THR 31 Cb 0.47 0.17 -0.03 0.00 -1.07 0.00 0.00 68.15 67.70 2h3a h THR 31 CO 0.05 0.16 -0.30 0.24 -0.01 0.00 0.00 175.52 175.66 2h3a h MET 32 N 0.85 -0.55 0.10 0.00 2.86 0.27 0.91 114.93 119.36 2h3a h MET 32 Ca 0.29 0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.98 2h3a h MET 32 Cb 0.07 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 2h3a h MET 32 CO -0.08 -0.37 -0.21 1.96 1.06 0.00 0.00 176.91 179.27 2h3a h GLN 33 N -0.57 -0.37 -0.39 1.72 4.20 -1.01 2.66 115.11 121.35 2h3a h GLN 33 Ca 0.01 0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.78 2h3a h GLN 33 Cb 0.56 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.39 2h3a h GLN 33 CO -0.12 -0.25 0.18 -0.91 -0.67 0.00 0.00 178.83 177.06 2h3a h ASN 34 N -0.39 0.25 1.02 1.46 2.35 -1.24 0.52 115.58 119.55 2h3a h ASN 34 Ca 0.03 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2h3a h ASN 34 Cb 0.41 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2h3a h ASN 34 CO -0.13 0.19 0.00 -0.08 -1.65 0.00 0.00 177.43 175.76 2h3a h GLU 35 N 0.37 0.00 0.05 0.81 4.57 0.14 0.46 114.58 120.99 2h3a h GLU 35 Ca 0.17 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.19 2h3a h GLU 35 Cb 0.10 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.70 2h3a h GLU 35 CO -0.13 0.00 -0.67 0.00 -1.18 0.00 0.00 179.01 177.03 2h3a h ALA 36 N 2.01 0.01 0.16 2.92 0.00 0.71 0.66 119.26 125.72 2h3a h ALA 36 Ca 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 2h3a h ALA 36 Cb 0.51 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2h3a h ALA 36 CO 0.00 0.35 -0.08 0.00 0.00 0.00 0.00 179.25 179.52 2h3a h ARG 37 N -0.22 -0.21 0.14 0.00 2.47 0.16 -3.37 114.38 113.35 2h3a h ARG 37 Ca -0.10 0.01 -0.31 0.00 -1.26 0.00 0.00 59.98 58.33 2h3a h ARG 37 Cb 1.42 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.79 2h3a h ARG 37 CO 0.13 0.21 -1.51 -0.09 0.56 0.00 0.00 179.97 179.28 2h3a h ARG 38 N -0.88 0.30 -6.64 0.04 9.65 -0.23 -3.48 114.38 113.13 2h3a h ARG 38 Ca -0.02 -0.51 -0.51 0.00 -1.10 0.00 0.00 59.98 57.84 2h3a h ARG 38 Cb 0.52 0.19 -0.22 0.00 -1.39 0.00 0.00 29.97 29.07 2h3a h ARG 38 CO 0.04 1.18 -0.78 -0.11 2.80 0.00 0.00 179.97 183.10 2h3a n LEU 39 N -3.50 -0.76 -2.54 3.80 0.00 0.23 -4.70 117.00 109.52 2h3a n LEU 39 Ca -0.16 -1.05 -0.03 0.00 0.00 0.00 0.00 56.01 54.77 2h3a n LEU 39 Cb 1.05 -1.31 -0.02 0.00 0.00 0.00 0.00 43.42 43.14 2h3a n LEU 39 CO 0.52 0.29 0.60 0.54 0.00 0.00 0.00 177.39 179.34 2h3a n ARG 40 N -3.79 0.14 -2.40 1.96 1.74 -1.26 -5.06 116.66 108.00 2h3a n ARG 40 Ca -0.16 -0.59 -0.33 0.00 -0.77 0.00 0.00 57.85 56.00 2h3a n ARG 40 Cb 0.51 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.93 2h3a n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2h3a s ALA 41 N 0.02 2.95 0.61 7.54 0.00 -1.26 -5.08 121.76 126.55 2h3a s ALA 41 Ca 0.02 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.33 2h3a s ALA 41 Cb 0.05 -3.17 0.07 0.00 0.00 0.00 0.00 23.12 20.06 2h3a s ALA 41 CO -0.01 -0.33 0.85 -2.00 0.00 0.00 0.00 175.76 174.26 2h3a s GLU 42 N -3.81 2.22 -0.20 0.00 2.12 -1.26 -5.10 118.70 112.68 2h3a s GLU 42 Ca 0.62 -0.97 -0.03 0.00 0.36 0.00 0.00 54.97 54.95 2h3a s GLU 42 Cb -0.12 -2.45 -0.01 0.00 0.26 0.00 0.00 34.13 31.81 2h3a s GLU 42 CO 0.28 -0.98 -0.05 1.03 -0.54 0.00 0.00 175.26 175.00 2h3a s ARG 43 N -4.88 3.42 0.32 4.30 3.00 -1.26 -5.12 118.95 118.74 2h3a s ARG 43 Ca 0.61 -0.62 0.06 0.00 0.00 0.00 0.00 55.73 55.78 2h3a s ARG 43 Cb -0.08 -2.95 -0.01 0.00 0.00 0.00 0.00 34.95 31.90 2h3a s ARG 43 CO 0.40 -0.08 0.46 -1.58 0.00 0.00 0.00 175.30 174.50 2h3a s TRP 44 N 1.18 3.16 -0.06 -0.53 0.23 -1.26 -5.13 118.94 116.53 2h3a s TRP 44 Ca 0.02 -0.19 -0.04 0.00 -2.03 0.00 0.00 56.10 53.86 2h3a s TRP 44 Cb -0.14 -1.94 0.03 0.00 0.03 0.00 0.00 33.47 31.44 2h3a s TRP 44 CO -0.01 0.04 0.15 -1.59 0.96 0.00 0.00 176.95 176.50 2h3a s LYS 45 N -4.15 0.14 0.04 4.98 0.00 -1.26 -5.16 119.74 114.32 2h3a s LYS 45 Ca 0.44 0.28 -0.19 0.00 0.00 0.00 0.00 55.97 56.50 2h3a s LYS 45 Cb -0.09 -0.03 0.04 0.00 0.00 0.00 0.00 37.83 37.74 2h3a s LYS 45 CO 0.31 -0.08 0.44 0.08 0.00 0.00 0.00 175.35 176.09 2h3a s VAL 46 N 0.57 0.05 0.68 1.79 1.01 -1.26 -5.16 120.40 118.08 2h3a s VAL 46 Ca -0.04 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 2h3a s VAL 46 Cb -0.06 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.39 2h3a s VAL 46 CO -0.03 -0.22 1.24 -1.83 0.00 0.00 0.00 175.10 174.26 2h3a s GLU 47 N -2.37 2.41 0.00 2.72 1.03 -1.26 -5.01 118.70 116.21 2h3a s GLU 47 Ca -0.06 1.89 0.00 0.00 0.03 0.00 0.00 54.97 56.83 2h3a s GLU 47 Cb -0.01 -1.85 0.00 0.00 -0.80 0.00 0.00 34.13 31.47 2h3a s GLU 47 CO -0.02 -1.66 0.13 0.09 -1.33 0.00 0.00 175.26 172.47 2h3a n ASN 48 N -2.25 0.00 -2.86 0.83 3.02 -1.26 -5.03 115.26 107.71 2h3a n ASN 48 Ca 0.14 0.13 -0.04 0.00 -0.03 0.00 0.00 54.58 54.78 2h3a n ASN 48 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 2h3a n ASN 48 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2h3a n GLN 49 N -0.50 -2.74 -3.72 3.52 1.13 -1.26 -4.98 117.38 108.83 2h3a n GLN 49 Ca 0.00 2.30 -0.35 0.00 -1.94 0.00 0.00 57.00 57.01 2h3a n GLN 49 Cb 0.00 -4.72 -0.08 0.00 0.11 0.00 0.00 30.24 25.54 2h3a n GLN 49 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2h3a s GLU 50 N -1.85 4.15 0.00 -1.09 -1.05 -1.26 -4.99 118.70 112.61 2h3a s GLU 50 Ca 0.08 -0.24 0.00 0.00 -0.15 0.00 0.00 54.97 54.67 2h3a s GLU 50 Cb -0.02 -3.44 0.00 0.00 -0.44 0.00 0.00 34.13 30.23 2h3a s GLU 50 CO 0.69 0.24 0.00 0.41 0.95 0.00 0.00 175.26 177.55 2h3a n GLY 51 N 3.71 0.91 0.92 -3.83 0.00 -1.26 -5.06 105.19 100.58 2h3a n GLY 51 Ca -0.16 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.91 2h3a n GLY 51 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2h3a n MET 52 N 0.00 0.00 0.00 1.61 1.56 -1.26 -5.17 117.12 113.86 2h3a n MET 52 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2h3a n MET 52 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 2h3a n MET 52 CO 0.00 0.00 0.00 1.55 -0.73 0.00 0.00 175.97 176.79 2h3a n VAL 53 N -2.08 0.00 -5.10 1.12 3.14 -1.26 -5.16 118.33 108.98 2h3a n VAL 53 Ca 0.00 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.10 2h3a n VAL 53 Cb 0.00 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 32.62 2h3a n VAL 53 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 2h3a s GLU 54 N -2.00 1.87 0.00 1.45 -1.05 -1.26 -5.11 118.70 112.61 2h3a s GLU 54 Ca 0.00 -0.80 0.00 0.00 -0.15 0.00 0.00 54.97 54.02 2h3a s GLU 54 Cb 0.00 -1.77 0.00 0.00 -0.44 0.00 0.00 34.13 31.92 2h3a s GLU 54 CO 0.00 0.46 0.00 0.28 0.95 0.00 0.00 175.26 176.95 2h3a n VAL 55 N 2.60 0.00 -2.40 1.83 0.31 -1.26 -5.08 118.33 114.33 2h3a n VAL 55 Ca -0.16 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.15 2h3a n VAL 55 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 2h3a n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2h3a n ALA 56 N -3.00 -2.43 -2.93 3.52 0.00 -1.26 -5.08 120.51 109.33 2h3a n ALA 56 Ca 0.00 0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.58 2h3a n ALA 56 Cb 0.00 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 17.90 2h3a n ALA 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2h3a s ARG 57 N -2.63 0.06 -0.32 0.00 3.52 -1.26 -5.12 118.95 113.20 2h3a s ARG 57 Ca 0.05 0.08 0.06 0.00 -0.13 0.00 0.00 55.73 55.79 2h3a s ARG 57 Cb -0.02 0.03 0.19 0.00 -1.56 0.00 0.00 34.95 33.60 2h3a s ARG 57 CO 0.46 -0.01 0.58 0.12 -0.81 0.00 0.00 175.30 175.64 2h3a s PHE 58 N 0.04 -1.74 -0.40 5.12 5.36 -1.26 -5.08 117.98 120.01 2h3a s PHE 58 Ca -0.00 0.82 0.03 0.00 -0.96 0.00 0.00 56.93 56.83 2h3a s PHE 58 Cb -0.00 0.27 0.16 0.00 -0.34 0.00 0.00 43.02 43.10 2h3a s PHE 58 CO 0.00 -1.10 0.34 0.42 -1.46 0.00 0.00 175.22 173.42 2h3a s ILE 59 N 2.59 0.16 -0.43 3.12 -1.09 -1.26 -5.02 121.20 119.26 2h3a s ILE 59 Ca 0.11 -2.23 0.09 0.00 -2.23 0.00 0.00 60.65 56.39 2h3a s ILE 59 Cb -0.09 -1.10 0.29 0.00 -1.58 0.00 0.00 42.46 39.98 2h3a s ILE 59 CO -0.22 -1.06 0.66 -0.62 -1.23 0.00 0.00 174.94 172.46 2h3a n GLU 60 N 3.20 1.27 -3.76 2.79 4.71 -1.26 -5.09 120.64 122.49 2h3a n GLU 60 Ca 0.24 -3.62 -0.08 0.00 -0.01 0.00 0.00 57.16 53.69 2h3a n GLU 60 Cb 0.46 -1.60 -0.02 0.00 -1.01 0.00 0.00 31.44 29.27 2h3a n GLU 60 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2h3a s MET 61 N -1.96 1.66 0.09 3.49 0.23 -1.26 -5.16 119.30 116.39 2h3a s MET 61 Ca 0.39 -0.87 0.00 0.00 -1.03 0.00 0.00 55.69 54.17 2h3a s MET 61 Cb 0.23 0.60 0.00 0.00 -1.53 0.00 0.00 34.83 34.14 2h3a s MET 61 CO -0.09 -0.75 0.00 -1.71 -2.03 0.00 0.00 175.02 170.44 2h3a n ASN 62 N -0.44 -1.33 0.00 -1.18 2.85 -1.26 -5.11 115.26 108.79 2h3a n ASN 62 Ca -0.07 0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 2h3a n ASN 62 Cb 0.60 -0.76 0.00 0.00 1.24 0.00 0.00 39.78 40.86 2h3a n ASN 62 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2h3a n GLY 63 N -2.62 4.46 0.00 8.20 0.00 -1.26 -5.20 105.19 108.77 2h3a n GLY 63 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2h3a n GLY 63 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2h3a n SER 64 N 0.00 0.00 -0.65 1.61 2.88 -1.26 -5.18 113.62 111.03 2h3a n SER 64 Ca 0.00 -0.17 0.08 0.00 -1.33 0.00 0.00 58.87 57.45 2h3a n SER 64 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2h3a n SER 64 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2h3a n PHE 65 N 0.00 -2.68 -2.40 0.66 7.35 -1.26 -4.75 117.46 114.38 2h3a n PHE 65 Ca 0.00 0.78 -0.05 0.00 -0.76 0.00 0.00 57.45 57.42 2h3a n PHE 65 Cb 0.00 -1.43 0.06 0.00 0.35 0.00 0.00 39.48 38.46 2h3a n PHE 65 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2h3a n ALA 66 N -1.50 3.31 -2.14 3.13 0.00 -1.26 -4.97 120.51 117.08 2h3a n ALA 66 Ca 0.00 -3.01 -0.42 0.00 0.00 0.00 0.00 53.44 50.01 2h3a n ALA 66 Cb 0.28 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.10 2h3a n ALA 66 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2h3a n ASP 67 N -0.47 4.49 -0.79 0.00 5.68 -1.26 -4.92 116.55 119.28 2h3a n ASP 67 Ca 0.18 -2.94 0.02 0.00 -0.50 0.00 0.00 54.79 51.55 2h3a n ASP 67 Cb 0.90 -1.62 -0.00 0.00 -1.14 0.00 0.00 41.12 39.26 2h3a n ASP 67 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2h3a n GLU 68 N 5.83 -0.23 0.00 0.11 2.13 -1.26 -5.05 120.64 122.16 2h3a n GLU 68 Ca 0.47 0.15 0.00 0.00 0.66 0.00 0.00 57.16 58.44 2h3a n GLU 68 Cb 0.40 -0.29 0.00 0.00 0.27 0.00 0.00 31.44 31.82 2h3a n GLU 68 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2h3a n ASN 69 N -2.18 0.00 0.00 4.31 2.85 -1.26 -5.05 115.26 113.93 2h3a n ASN 69 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2h3a n ASN 69 Cb 0.05 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.07 2h3a n ASN 69 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2h3a n LYS 70 N -0.17 0.00 0.00 1.20 0.00 -1.26 -5.04 118.16 112.90 2h3a n LYS 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2h3a n LYS 70 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2h3a n LYS 70 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2h3a n ASP 71 N 0.00 0.00 -0.31 -5.58 2.03 -1.26 -5.36 116.55 106.07 2h3a n ASP 71 Ca 0.00 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.46 2h3a n ASP 71 Cb 0.00 0.00 0.67 0.00 -0.72 0.00 0.00 41.12 41.07 2h3a n ASP 71 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07