#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3a s LYS 2 N 0.00 0.16 -0.18 3.17 -2.85 -1.26 -5.14 119.74 113.64 2h3a s LYS 2 Ca 0.00 0.14 0.01 0.00 -1.00 0.00 0.00 55.97 55.12 2h3a s LYS 2 Cb 0.00 0.08 0.04 0.00 -2.06 0.00 0.00 37.83 35.88 2h3a s LYS 2 CO 0.00 -0.02 -0.11 -1.14 0.10 0.00 0.00 175.35 174.18 2h3a s GLN 3 N -0.01 2.03 -0.36 1.78 2.00 -1.26 -5.09 119.66 118.75 2h3a s GLN 3 Ca -0.01 -0.72 -0.29 0.00 -2.00 0.00 0.00 55.36 52.34 2h3a s GLN 3 Cb -0.01 -2.27 0.02 0.00 0.80 0.00 0.00 33.01 31.54 2h3a s GLN 3 CO 0.00 -0.37 1.14 0.50 -0.50 0.00 0.00 175.29 176.06 2h3a s ARG 4 N 1.45 3.93 -0.14 1.67 3.52 -1.26 -5.00 118.95 123.13 2h3a s ARG 4 Ca 0.01 0.97 -0.00 0.00 -0.13 0.00 0.00 55.73 56.57 2h3a s ARG 4 Cb -0.15 -3.82 -0.01 0.00 -1.56 0.00 0.00 34.95 29.41 2h3a s ARG 4 CO -0.09 -1.09 -0.14 0.96 -0.81 0.00 0.00 175.30 174.14 2h3a s ILE 5 N 4.05 2.96 -0.04 4.11 -4.36 -1.26 -5.12 121.20 121.54 2h3a s ILE 5 Ca 0.48 -0.69 0.02 0.00 -0.26 0.00 0.00 60.65 60.20 2h3a s ILE 5 Cb -0.12 -2.24 0.01 0.00 1.25 0.00 0.00 42.46 41.36 2h3a s ILE 5 CO 0.22 0.52 -0.07 0.28 0.24 0.00 0.00 174.94 176.12 2h3a s THR 6 N 0.46 0.73 -0.48 8.37 -1.32 -1.26 -5.09 115.64 117.05 2h3a s THR 6 Ca -0.10 -0.27 -0.14 0.00 -1.21 0.00 0.00 61.69 59.97 2h3a s THR 6 Cb -0.16 -0.70 0.09 0.00 -1.51 0.00 0.00 72.50 70.22 2h3a s THR 6 CO 0.05 0.26 0.40 0.54 -2.21 0.00 0.00 174.62 173.66 2h3a s VAL 7 N 0.63 5.05 -0.76 5.08 0.11 -1.26 -4.97 120.40 124.27 2h3a s VAL 7 Ca -0.10 -1.26 -0.21 0.00 -2.93 0.00 0.00 61.98 57.48 2h3a s VAL 7 Cb -0.13 -4.10 -0.15 0.00 -1.53 0.00 0.00 36.38 30.47 2h3a s VAL 7 CO 0.01 -0.66 1.93 0.35 -3.33 0.00 0.00 175.10 173.40 2h3a n THR 8 N 5.16 1.83 0.00 5.04 -2.24 -1.26 -4.79 114.28 118.02 2h3a n THR 8 Ca -0.12 -1.54 0.00 0.00 -2.27 0.00 0.00 64.05 60.12 2h3a n THR 8 Cb 0.42 -2.29 0.00 0.00 -2.10 0.00 0.00 70.33 66.36 2h3a n THR 8 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2h3a n VAL 9 N 5.85 0.00 0.00 2.28 3.14 -1.26 -4.98 118.33 123.36 2h3a n VAL 9 Ca 0.49 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.87 2h3a n VAL 9 Cb 0.38 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 2h3a n VAL 9 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2h3a n ASP 10 N 0.00 0.00 0.00 6.55 2.03 -1.26 -4.92 116.55 118.95 2h3a n ASP 10 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2h3a n ASP 10 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2h3a n ASP 10 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2h3a n SER 11 N 0.00 0.00 -3.35 1.67 2.88 -1.26 -4.96 113.62 108.59 2h3a n SER 11 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2h3a n SER 11 Cb 0.00 0.27 -0.03 0.00 -0.75 0.00 0.00 64.21 63.71 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 -2.04 7.72 0.00 -3.46 9.92 -1.26 -4.62 116.55 122.81 2h3a n ASP 12 Ca 0.00 -2.58 0.00 0.00 -0.53 0.00 0.00 54.79 51.68 2h3a n ASP 12 Cb 0.00 -1.52 0.00 0.00 -0.64 0.00 0.00 41.12 38.96 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 4.01 0.00 0.02 -2.24 7.64 -1.26 -4.86 113.62 116.93 2h3a n SER 13 Ca 0.72 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.47 2h3a n SER 13 Cb 0.24 -1.02 -0.07 0.00 -1.01 0.00 0.00 64.21 62.36 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 0.00 -1.26 -1.01 1.43 3.20 -1.96 -1.22 116.97 116.16 2h3a h TYR 14 Ca 0.00 0.05 0.23 0.00 3.14 0.00 0.00 58.73 62.15 2h3a h TYR 14 Cb 0.00 0.56 -0.11 0.00 1.54 0.00 0.00 36.73 38.73 2h3a h TYR 14 CO 0.00 -0.50 0.62 1.96 -1.64 0.00 0.00 178.16 178.60 2h3a h GLN 15 N -0.54 0.57 -0.91 1.82 4.20 -1.92 -0.23 115.11 118.11 2h3a h GLN 15 Ca 0.06 -0.03 0.23 0.00 0.06 0.00 0.00 58.65 58.97 2h3a h GLN 15 Cb 0.65 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.24 2h3a h GLN 15 CO -0.38 0.38 0.62 -0.07 -0.67 0.00 0.00 178.83 178.71 2h3a h LEU 16 N 0.59 0.25 0.03 1.46 3.38 -1.61 1.29 115.31 120.69 2h3a h LEU 16 Ca 0.60 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.60 2h3a h LEU 16 Cb 1.18 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2h3a h LEU 16 CO -0.38 0.09 -0.01 -0.07 0.09 0.00 0.00 178.44 178.15 2h3a h LEU 17 N 0.24 -0.03 -1.68 1.67 -0.00 -1.03 -3.29 115.31 111.18 2h3a h LEU 17 Ca 0.46 -0.66 -0.04 0.00 -0.00 0.00 0.00 57.88 57.65 2h3a h LEU 17 Cb 1.42 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 42.08 2h3a h LEU 17 CO -0.12 0.75 -0.17 0.07 -0.00 0.00 0.00 178.44 178.96 2h3a h LYS 18 N -0.92 0.00 -0.25 1.13 2.10 -1.30 -1.94 116.57 115.38 2h3a h LYS 18 Ca -0.00 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.72 2h3a h LYS 18 Cb 0.69 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.01 2h3a h LYS 18 CO 0.01 0.17 0.21 0.00 -2.00 0.00 0.00 179.45 177.83 2h3a h ALA 19 N 1.83 2.08 0.14 0.07 0.00 0.16 -1.39 119.26 122.15 2h3a h ALA 19 Ca -0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 2h3a h ALA 19 Cb 0.45 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2h3a h ALA 19 CO 0.02 -0.33 -1.83 1.88 0.00 0.00 0.00 179.25 178.98 2h3a h TYR 20 N 0.00 0.54 0.00 0.00 0.05 -1.46 -3.49 116.97 112.61 2h3a h TYR 20 Ca 0.12 -0.39 0.00 0.00 0.05 0.00 0.00 58.73 58.50 2h3a h TYR 20 Cb 0.53 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.25 2h3a h TYR 20 CO 0.00 1.72 0.00 -0.25 -1.05 0.00 0.00 178.16 178.58 2h3a n ASP 21 N -3.60 0.00 0.00 3.88 9.92 -0.52 -5.07 116.55 121.15 2h3a n ASP 21 Ca -0.29 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 53.97 2h3a n ASP 21 Cb 1.03 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.51 2h3a n ASP 21 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2h3a n VAL 22 N 0.00 0.00 0.00 2.53 0.31 -1.18 -5.00 118.33 114.99 2h3a n VAL 22 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2h3a n VAL 22 Cb 0.00 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 2h3a n VAL 22 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2h3a n ASN 23 N -2.31 0.00 0.00 4.52 3.02 -1.23 -3.58 115.26 115.67 2h3a n ASN 23 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2h3a n ASN 23 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2h3a n ASN 23 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2h3a n ILE 24 N 0.00 0.00 -0.21 2.41 -6.64 -1.26 -4.44 119.36 109.22 2h3a n ILE 24 Ca 0.00 0.00 -0.05 0.00 -1.77 0.00 0.00 62.75 60.93 2h3a n ILE 24 Cb 0.00 1.59 -0.05 0.00 -1.44 0.00 0.00 39.64 39.74 2h3a n ILE 24 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 2h3a n SER 25 N 0.00 -0.53 0.08 7.28 3.41 -1.23 0.14 113.62 122.77 2h3a n SER 25 Ca 0.00 1.36 -0.05 0.00 -0.26 0.00 0.00 58.87 59.93 2h3a n SER 25 Cb 0.22 -0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 63.76 2h3a n SER 25 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2h3a h GLY 26 N 0.00 0.00 0.89 5.00 0.00 -1.92 -3.29 103.07 103.75 2h3a h GLY 26 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 2h3a h GLY 26 CO -0.47 0.00 -0.36 -2.00 0.00 0.00 0.00 176.54 173.71 2h3a h LEU 27 N 0.00 -0.86 0.00 3.11 5.85 -1.45 -0.27 115.31 121.70 2h3a h LEU 27 Ca -0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2h3a h LEU 27 Cb 1.62 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.87 2h3a h LEU 27 CO 0.11 -0.54 0.00 0.52 -0.34 0.00 0.00 178.44 178.19 2h3a n VAL 28 N -5.49 0.00 -0.34 1.05 0.31 0.37 0.16 118.33 114.39 2h3a n VAL 28 Ca -0.14 1.43 0.21 0.00 -0.01 0.00 0.00 64.34 65.83 2h3a n VAL 28 Cb 0.41 -2.23 0.44 0.00 -0.91 0.00 0.00 33.84 31.54 2h3a n VAL 28 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2h3a h SER 29 N 0.00 0.59 -0.08 4.52 4.64 -1.68 2.24 113.55 123.78 2h3a h SER 29 Ca 0.00 0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 2h3a h SER 29 Cb 0.00 0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2h3a h SER 29 CO 0.00 0.03 -0.07 0.74 -0.87 0.00 0.00 176.83 176.65 2h3a h THR 30 N 0.47 1.36 -0.14 2.95 2.02 -0.68 -2.54 112.91 116.35 2h3a h THR 30 Ca 0.67 -1.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.57 2h3a h THR 30 Cb 1.43 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.83 2h3a h THR 30 CO -0.48 0.34 -0.19 0.74 0.37 0.00 0.00 175.52 176.30 2h3a h THR 31 N -0.23 1.21 0.71 3.16 2.02 0.41 -2.96 112.91 117.22 2h3a h THR 31 Ca 0.01 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.21 2h3a h THR 31 Cb 0.58 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 2h3a h THR 31 CO 0.02 0.29 -0.37 0.24 0.37 0.00 0.00 175.52 176.07 2h3a h MET 32 N 0.22 -0.95 -0.73 6.66 2.86 0.38 0.86 114.93 124.23 2h3a h MET 32 Ca 0.04 0.06 0.11 0.00 -2.06 0.00 0.00 59.70 57.86 2h3a h MET 32 Cb 0.47 0.22 -0.05 0.00 0.06 0.00 0.00 31.60 32.30 2h3a h MET 32 CO 0.03 -0.63 0.48 0.37 1.06 0.00 0.00 176.91 178.22 2h3a h GLN 33 N -0.99 0.52 -0.00 1.72 4.15 -1.39 3.36 115.11 122.47 2h3a h GLN 33 Ca -0.09 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 2h3a h GLN 33 Cb 0.77 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.35 2h3a h GLN 33 CO 0.14 0.34 -0.06 -0.97 -1.93 0.00 0.00 178.83 176.35 2h3a h ASN 34 N 0.53 0.06 1.11 -0.69 -1.24 -1.30 -1.19 115.58 112.86 2h3a h ASN 34 Ca 0.34 -0.73 -0.02 0.00 0.71 0.00 0.00 56.30 56.60 2h3a h ASN 34 Cb 0.61 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.64 2h3a h ASN 34 CO -0.12 0.78 -0.11 -0.08 -1.29 0.00 0.00 177.43 176.62 2h3a h GLU 35 N -0.66 0.00 -0.16 6.67 4.57 0.14 0.52 114.58 125.65 2h3a h GLU 35 Ca -0.01 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.09 2h3a h GLU 35 Cb 0.79 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.38 2h3a h GLU 35 CO 0.01 0.11 -0.21 0.00 -1.18 0.00 0.00 179.01 177.74 2h3a h ALA 36 N 1.89 0.24 0.00 2.92 0.00 0.62 0.63 119.26 125.57 2h3a h ALA 36 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2h3a h ALA 36 Cb 0.69 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2h3a h ALA 36 CO 0.01 0.19 -0.06 0.00 0.00 0.00 0.00 179.25 179.39 2h3a h ARG 37 N 0.06 0.00 0.01 0.00 3.08 -1.01 -3.38 114.38 113.14 2h3a h ARG 37 Ca 0.02 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.84 2h3a h ARG 37 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 2h3a h ARG 37 CO 0.05 0.50 -0.97 -0.09 -1.07 0.00 0.00 179.97 178.39 2h3a h ARG 38 N -1.00 0.42 -5.97 0.04 1.12 -0.08 -3.47 114.38 105.43 2h3a h ARG 38 Ca -0.01 -0.46 -0.27 0.00 -1.11 0.00 0.00 59.98 58.13 2h3a h ARG 38 Cb 0.53 0.14 -0.09 0.00 -0.01 0.00 0.00 29.97 30.54 2h3a h ARG 38 CO -0.01 1.13 -0.42 -0.11 -3.11 0.00 0.00 179.97 177.45 2h3a n LEU 39 N -3.74 -0.39 0.00 3.80 0.00 0.22 -4.78 117.00 112.10 2h3a n LEU 39 Ca -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 56.01 55.39 2h3a n LEU 39 Cb 0.85 -0.68 0.00 0.00 0.00 0.00 0.00 43.42 43.59 2h3a n LEU 39 CO 0.52 0.21 0.00 -1.14 0.00 0.00 0.00 177.39 176.98 2h3a n ARG 40 N -2.56 0.00 -4.14 1.96 0.63 -1.26 -5.07 116.66 106.22 2h3a n ARG 40 Ca -0.14 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.63 2h3a n ARG 40 Cb 0.30 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.09 2h3a n ARG 40 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2h3a s ALA 41 N 0.00 0.85 1.00 5.13 0.00 -1.26 -5.12 121.76 122.36 2h3a s ALA 41 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2h3a s ALA 41 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.08 2h3a s ALA 41 CO 0.00 0.08 0.00 -0.85 0.00 0.00 0.00 175.76 174.99 2h3a n GLU 42 N 1.55 1.01 -3.13 0.00 -0.00 -1.26 -5.07 120.64 113.74 2h3a n GLU 42 Ca -0.21 0.00 -0.16 0.00 -0.00 0.00 0.00 57.16 56.79 2h3a n GLU 42 Cb 0.55 0.00 -0.05 0.00 -0.00 0.00 0.00 31.44 31.93 2h3a n GLU 42 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 2h3a s ARG 43 N 0.00 0.94 0.31 3.44 1.70 -1.26 -5.14 118.95 118.94 2h3a s ARG 43 Ca 0.00 -1.53 0.09 0.00 -0.47 0.00 0.00 55.73 53.82 2h3a s ARG 43 Cb 0.00 -0.76 -0.04 0.00 -0.57 0.00 0.00 34.95 33.57 2h3a s ARG 43 CO 0.00 -1.34 0.08 -0.46 -1.08 0.00 0.00 175.30 172.50 2h3a s TRP 44 N 0.56 2.71 -0.02 5.89 -0.00 -1.26 -5.09 118.94 121.74 2h3a s TRP 44 Ca 0.30 -0.31 -0.01 0.00 -0.00 0.00 0.00 56.10 56.08 2h3a s TRP 44 Cb 0.00 -1.44 -0.00 0.00 -0.00 0.00 0.00 33.47 32.03 2h3a s TRP 44 CO -0.12 0.47 -0.02 0.87 -0.00 0.00 0.00 176.95 178.16 2h3a h LYS 45 N 1.70 0.00 -5.25 5.86 1.57 -2.09 -3.49 116.57 114.88 2h3a h LYS 45 Ca -0.44 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.08 2h3a h LYS 45 Cb 1.25 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.57 2h3a h LYS 45 CO 0.62 0.00 -0.72 1.55 -0.57 0.00 0.00 179.45 180.33 2h3a n VAL 46 N -2.49 -2.18 -3.24 0.50 3.14 -1.26 -4.97 118.33 107.84 2h3a n VAL 46 Ca -0.01 0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 2h3a n VAL 46 Cb 0.02 -1.98 -0.03 0.00 -1.06 0.00 0.00 33.84 30.80 2h3a n VAL 46 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2h3a s GLU 47 N -2.33 0.51 0.00 1.45 -6.30 -1.26 -5.03 118.70 105.74 2h3a s GLU 47 Ca 0.15 0.92 0.00 0.00 -2.50 0.00 0.00 54.97 53.54 2h3a s GLU 47 Cb -0.02 0.32 0.00 0.00 0.00 0.00 0.00 34.13 34.43 2h3a s GLU 47 CO 0.54 -0.59 0.00 0.27 0.02 0.00 0.00 175.26 175.49 2h3a n ASN 48 N 5.41 0.00 -4.02 -1.70 6.94 -1.26 -5.18 115.26 115.46 2h3a n ASN 48 Ca -0.02 0.00 -0.08 0.00 -0.02 0.00 0.00 54.58 54.45 2h3a n ASN 48 Cb 0.51 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.82 2h3a n ASN 48 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2h3a s GLN 49 N 0.00 0.45 -0.45 -3.83 1.11 -1.26 -5.12 119.66 110.56 2h3a s GLN 49 Ca 0.00 -0.85 0.02 0.00 0.01 0.00 0.00 55.36 54.54 2h3a s GLN 49 Cb 0.00 0.16 0.14 0.00 -1.01 0.00 0.00 33.01 32.30 2h3a s GLN 49 CO 0.00 -0.08 0.27 -1.83 0.01 0.00 0.00 175.29 173.66 2h3a s GLU 50 N -2.50 1.24 0.00 2.91 4.04 -1.26 -5.06 118.70 118.08 2h3a s GLU 50 Ca -0.06 -2.06 0.00 0.00 0.04 0.00 0.00 54.97 52.89 2h3a s GLU 50 Cb -0.02 -2.16 0.00 0.00 0.02 0.00 0.00 34.13 31.96 2h3a s GLU 50 CO -0.05 -1.21 0.00 0.41 -1.84 0.00 0.00 175.26 172.57 2h3a n GLY 51 N 3.36 0.26 3.29 -3.83 0.00 -1.26 -5.11 105.19 101.90 2h3a n GLY 51 Ca 0.13 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 2h3a n GLY 51 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2h3a s MET 52 N -0.33 0.52 3.12 1.61 1.75 -1.26 -5.13 119.30 119.57 2h3a s MET 52 Ca 0.00 0.44 0.00 0.00 -1.25 0.00 0.00 55.69 54.88 2h3a s MET 52 Cb 0.00 0.25 0.00 0.00 2.84 0.00 0.00 34.83 37.92 2h3a s MET 52 CO 0.00 -0.08 0.00 0.28 -0.65 0.00 0.00 175.02 174.57 2h3a n VAL 53 N 2.57 0.00 -3.64 10.11 0.31 -1.26 -4.93 118.33 121.49 2h3a n VAL 53 Ca -0.15 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.09 2h3a n VAL 53 Cb 0.57 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.43 2h3a n VAL 53 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2h3a s GLU 54 N 0.00 0.53 0.00 5.55 -1.05 -1.26 -5.04 118.70 117.43 2h3a s GLU 54 Ca 0.00 0.66 0.11 0.00 -0.15 0.00 0.00 54.97 55.59 2h3a s GLU 54 Cb 0.00 0.25 -0.03 0.00 -0.44 0.00 0.00 34.13 33.90 2h3a s GLU 54 CO 0.00 -0.07 0.62 0.28 0.95 0.00 0.00 175.26 177.04 2h3a n VAL 55 N 2.42 0.00 -2.21 1.83 0.31 -1.26 -5.08 118.33 114.34 2h3a n VAL 55 Ca -0.13 -0.35 -0.04 0.00 -0.01 0.00 0.00 64.34 63.81 2h3a n VAL 55 Cb 0.56 1.10 -0.03 0.00 -0.91 0.00 0.00 33.84 34.56 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 -0.49 -3.33 -2.81 3.52 0.00 -1.26 -5.03 120.51 111.10 2h3a n ALA 56 Ca 0.04 1.53 -0.34 0.00 0.00 0.00 0.00 53.44 54.66 2h3a n ALA 56 Cb 0.22 -3.03 -0.10 0.00 0.00 0.00 0.00 19.45 16.53 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 -0.81 3.51 -0.30 0.00 3.00 -1.26 -5.06 118.95 118.03 2h3a s ARG 57 Ca -0.18 -0.41 -0.16 0.00 -1.00 0.00 0.00 55.73 53.99 2h3a s ARG 57 Cb 0.01 -2.97 0.18 0.00 0.00 0.00 0.00 34.95 32.16 2h3a s ARG 57 CO 0.47 0.44 1.17 0.12 0.00 0.00 0.00 175.30 177.50 2h3a s PHE 58 N -0.14 -0.18 -0.12 5.12 2.19 -1.26 -5.05 117.98 118.54 2h3a s PHE 58 Ca 0.05 0.14 0.01 0.00 0.33 0.00 0.00 56.93 57.46 2h3a s PHE 58 Cb -0.12 0.04 -0.24 0.00 -1.31 0.00 0.00 43.02 41.39 2h3a s PHE 58 CO 0.02 -0.10 0.36 -0.89 1.83 0.00 0.00 175.22 176.43 2h3a n ILE 59 N 5.24 1.68 0.00 3.12 5.41 -1.26 -4.99 119.36 128.56 2h3a n ILE 59 Ca 0.02 -0.70 0.00 0.00 1.00 0.00 0.00 62.75 63.07 2h3a n ILE 59 Cb 0.57 -1.44 0.00 0.00 -0.71 0.00 0.00 39.64 38.05 2h3a n ILE 59 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2h3a n GLU 60 N -3.30 0.00 -0.32 0.38 4.07 -1.26 -4.95 120.64 115.27 2h3a n GLU 60 Ca -0.30 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.81 2h3a n GLU 60 Cb 1.05 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 32.43 2h3a n GLU 60 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95 2h3a n MET 61 N 0.00 -0.83 -4.01 5.31 1.56 -1.26 -5.06 117.12 112.83 2h3a n MET 61 Ca 0.00 0.64 -0.12 0.00 -0.27 0.00 0.00 57.70 57.95 2h3a n MET 61 Cb 0.00 -0.81 -0.12 0.00 2.15 0.00 0.00 33.22 34.43 2h3a n MET 61 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 2h3a s ASN 62 N -3.55 0.42 0.00 6.12 -0.87 -1.26 -5.14 114.94 110.65 2h3a s ASN 62 Ca 0.00 -0.31 0.00 0.00 -1.57 0.00 0.00 52.86 50.98 2h3a s ASN 62 Cb 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 41.25 41.26 2h3a s ASN 62 CO 0.00 -0.13 0.00 0.61 -2.57 0.00 0.00 177.10 175.01 2h3a n GLY 63 N 2.19 0.99 3.58 0.66 0.00 -1.26 -5.15 105.19 106.20 2h3a n GLY 63 Ca -0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.85 2h3a n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2h3a s SER 64 N -1.00 -0.00 0.08 1.61 0.01 -1.26 -5.18 113.70 107.96 2h3a s SER 64 Ca 0.00 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2h3a s SER 64 Cb 0.00 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.24 2h3a s SER 64 CO 0.00 -0.01 0.00 0.33 0.41 0.00 0.00 173.24 173.97 2h3a n PHE 65 N -0.34 -0.53 -3.64 2.43 7.35 -1.26 -5.09 117.46 116.38 2h3a n PHE 65 Ca -0.05 0.29 -0.07 0.00 -0.76 0.00 0.00 57.45 56.86 2h3a n PHE 65 Cb 0.61 -0.76 -0.07 0.00 0.35 0.00 0.00 39.48 39.62 2h3a n PHE 65 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2h3a s ALA 66 N -3.87 -1.92 -0.82 3.13 0.00 -1.26 -5.09 121.76 111.93 2h3a s ALA 66 Ca 0.00 2.34 0.02 0.00 0.00 0.00 0.00 51.96 54.31 2h3a s ALA 66 Cb 0.00 -1.44 0.28 0.00 0.00 0.00 0.00 23.12 21.96 2h3a s ALA 66 CO 0.00 -0.37 1.08 -3.47 0.00 0.00 0.00 175.76 173.01 2h3a n ASP 67 N 3.98 4.97 -1.11 0.00 -0.08 -1.26 -5.06 116.55 117.98 2h3a n ASP 67 Ca -0.19 -3.46 0.07 0.00 -1.51 0.00 0.00 54.79 49.71 2h3a n ASP 67 Cb 0.58 -0.91 -0.02 0.00 2.34 0.00 0.00 41.12 43.11 2h3a n ASP 67 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2h3a n GLU 68 N 0.92 -1.11 -4.16 -0.67 0.00 -1.26 -4.94 120.64 109.43 2h3a n GLU 68 Ca 0.29 0.73 -0.15 0.00 0.00 0.00 0.00 57.16 58.03 2h3a n GLU 68 Cb 0.37 -1.35 -0.13 0.00 0.00 0.00 0.00 31.44 30.33 2h3a n GLU 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2h3a s ASN 69 N -5.16 0.87 0.00 4.31 6.03 -1.26 -5.01 114.94 114.71 2h3a s ASN 69 Ca 0.00 -0.32 0.00 0.00 -1.03 0.00 0.00 52.86 51.51 2h3a s ASN 69 Cb 0.00 -0.03 0.00 0.00 -3.03 0.00 0.00 41.25 38.19 2h3a s ASN 69 CO 0.00 -0.04 0.00 2.29 -2.03 0.00 0.00 177.10 177.32 2h3a n LYS 70 N 2.23 0.00 -3.65 3.55 2.85 -1.26 -5.03 118.16 116.85 2h3a n LYS 70 Ca -0.17 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 56.84 2h3a n LYS 70 Cb 0.56 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.95 2h3a n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2h3a n ASP 71 N 0.00 -3.59 0.00 -5.58 9.92 -1.26 -5.32 116.55 110.72 2h3a n ASP 71 Ca 0.00 -0.84 0.00 0.00 -0.53 0.00 0.00 54.79 53.42 2h3a n ASP 71 Cb 0.00 -1.24 0.00 0.00 -0.64 0.00 0.00 41.12 39.24 2h3a n ASP 71 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12