#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 -3.49 3.17 -0.00 -1.26 -5.12 118.16 111.46 2h3a n LYS 2 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 2h3a n LYS 2 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 34.93 2h3a n LYS 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2h3a s GLN 3 N 0.00 2.92 -0.62 -1.58 0.74 -1.26 -5.02 119.66 114.84 2h3a s GLN 3 Ca 0.00 -1.11 -0.28 0.00 0.05 0.00 0.00 55.36 54.02 2h3a s GLN 3 Cb 0.00 -3.94 0.02 0.00 1.10 0.00 0.00 33.01 30.20 2h3a s GLN 3 CO 0.00 -0.79 1.31 0.50 -0.55 0.00 0.00 175.29 175.76 2h3a s ARG 4 N 1.63 3.32 -0.20 1.67 3.52 -1.26 -4.97 118.95 122.67 2h3a s ARG 4 Ca 0.04 0.19 -0.13 0.00 -0.13 0.00 0.00 55.73 55.70 2h3a s ARG 4 Cb -0.20 -4.11 -0.05 0.00 -1.56 0.00 0.00 34.95 29.03 2h3a s ARG 4 CO 0.08 -1.93 0.26 0.96 -0.81 0.00 0.00 175.30 173.86 2h3a s ILE 5 N 5.67 5.31 -0.08 4.11 -4.36 -1.26 -5.07 121.20 125.51 2h3a s ILE 5 Ca 0.44 0.43 0.00 0.00 -0.26 0.00 0.00 60.65 61.26 2h3a s ILE 5 Cb -0.09 -3.60 0.02 0.00 1.25 0.00 0.00 42.46 40.05 2h3a s ILE 5 CO 0.22 0.34 -0.06 0.28 0.24 0.00 0.00 174.94 175.96 2h3a s THR 6 N 0.90 0.80 -0.45 8.37 -1.32 -1.26 -5.09 115.64 117.58 2h3a s THR 6 Ca 0.13 -0.20 -0.14 0.00 -1.21 0.00 0.00 61.69 60.27 2h3a s THR 6 Cb -0.13 -0.83 0.06 0.00 -1.51 0.00 0.00 72.50 70.09 2h3a s THR 6 CO 0.04 0.31 0.35 0.54 -2.21 0.00 0.00 174.62 173.65 2h3a s VAL 7 N 1.40 5.05 -0.68 5.08 0.11 -1.26 -5.03 120.40 125.07 2h3a s VAL 7 Ca -0.02 -1.04 -0.26 0.00 -2.93 0.00 0.00 61.98 57.73 2h3a s VAL 7 Cb -0.13 -3.98 -0.02 0.00 -1.53 0.00 0.00 36.38 30.72 2h3a s VAL 7 CO -0.04 -0.50 1.82 0.42 -3.33 0.00 0.00 175.10 173.47 2h3a s THR 8 N 1.61 3.41 0.00 5.04 -4.23 -1.26 -4.94 115.64 115.27 2h3a s THR 8 Ca 0.04 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 2h3a s THR 8 Cb -0.23 -4.06 0.00 0.00 1.34 0.00 0.00 72.50 69.55 2h3a s THR 8 CO 0.06 -1.02 0.00 0.52 -0.54 0.00 0.00 174.62 173.65 2h3a n VAL 9 N 7.24 0.00 -0.00 2.29 0.31 -1.26 -4.86 118.33 122.05 2h3a n VAL 9 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 2h3a n VAL 9 Cb 0.51 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 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 0.08 4.52 2.03 -1.26 -4.75 116.55 117.16 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 -1.20 -1.92 0.00 0.00 177.20 174.08 2h3a n SER 11 N 0.00 0.00 0.00 1.67 7.64 -1.26 -5.03 113.62 116.65 2h3a n SER 11 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2h3a n SER 11 Cb 0.00 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2h3a n SER 11 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2h3a n ASP 12 N -3.10 0.00 0.00 6.43 9.92 -1.26 -4.89 116.55 123.64 2h3a n ASP 12 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2h3a n ASP 12 Cb 0.03 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.51 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 0.00 0.00 0.03 -2.24 7.64 -1.26 -5.04 113.62 112.74 2h3a n SER 13 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 2h3a n SER 13 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 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 0.49 -0.82 1.43 3.20 -1.98 -3.39 116.97 115.90 2h3a h TYR 14 Ca 0.00 -0.36 0.18 0.00 3.14 0.00 0.00 58.73 61.70 2h3a h TYR 14 Cb 0.00 -0.02 -0.11 0.00 1.54 0.00 0.00 36.73 38.14 2h3a h TYR 14 CO 0.00 1.47 0.30 1.96 -1.64 0.00 0.00 178.16 180.25 2h3a h GLN 15 N -0.33 0.36 0.15 1.82 4.20 -1.98 -2.44 115.11 116.89 2h3a h GLN 15 Ca -0.25 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.46 2h3a h GLN 15 Cb 1.72 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 29.38 2h3a h GLN 15 CO 0.09 0.24 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.07 2h3a h LEU 16 N 0.37 -1.02 -0.65 1.46 3.38 -1.96 1.80 115.31 118.69 2h3a h LEU 16 Ca 0.48 0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.69 2h3a h LEU 16 Cb 0.85 0.38 -0.13 0.00 0.09 0.00 0.00 40.66 41.85 2h3a h LEU 16 CO -0.50 -0.44 -0.22 -0.07 0.09 0.00 0.00 178.44 177.30 2h3a h LEU 17 N -0.60 -0.79 -0.10 1.67 -0.00 -1.65 0.28 115.31 114.13 2h3a h LEU 17 Ca 0.02 0.21 -0.19 0.00 -0.00 0.00 0.00 57.88 57.93 2h3a h LEU 17 Cb 0.62 0.47 -0.03 0.00 -0.00 0.00 0.00 40.66 41.72 2h3a h LEU 17 CO -0.19 -0.25 -0.88 0.07 -0.00 0.00 0.00 178.44 177.19 2h3a h LYS 18 N -0.05 0.00 0.00 1.13 2.10 -1.36 -2.95 116.57 115.44 2h3a h LYS 18 Ca 0.30 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.94 2h3a h LYS 18 Cb 0.52 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.85 2h3a h LYS 18 CO -0.70 0.88 -0.03 0.00 -2.00 0.00 0.00 179.45 177.61 2h3a h ALA 19 N 1.12 1.31 0.09 0.07 0.00 0.54 -2.20 119.26 120.18 2h3a h ALA 19 Ca -0.01 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.59 2h3a h ALA 19 Cb 1.63 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2h3a h ALA 19 CO 0.11 0.03 -1.50 0.10 0.00 0.00 0.00 179.25 177.99 2h3a h TYR 20 N 0.00 0.34 0.00 0.00 -0.00 -0.45 -3.48 116.97 113.37 2h3a h TYR 20 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 58.73 58.48 2h3a h TYR 20 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 36.73 36.81 2h3a h TYR 20 CO 0.00 1.59 0.00 -3.47 -0.00 0.00 0.00 178.16 176.28 2h3a n ASP 21 N -3.95 0.00 -3.15 0.10 2.03 -0.83 -5.13 116.55 105.63 2h3a n ASP 21 Ca -0.28 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.08 2h3a n ASP 21 Cb 0.88 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.27 2h3a n ASP 21 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2h3a s VAL 22 N 0.00 -0.52 -0.32 5.18 0.11 -1.17 -4.99 120.40 118.69 2h3a s VAL 22 Ca 0.00 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 2h3a s VAL 22 Cb 0.00 -0.81 -0.06 0.00 -1.53 0.00 0.00 36.38 33.98 2h3a s VAL 22 CO 0.00 0.00 1.61 0.59 -3.33 0.00 0.00 175.10 173.97 2h3a n ASN 23 N 5.37 2.44 0.00 3.54 4.13 -1.26 -2.87 115.26 126.61 2h3a n ASN 23 Ca -0.00 -2.04 0.00 0.00 1.68 0.00 0.00 54.58 54.22 2h3a n ASN 23 Cb 0.54 -0.70 0.00 0.00 -1.54 0.00 0.00 39.78 38.09 2h3a n ASN 23 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2h3a n ILE 24 N 3.82 0.00 -0.24 2.41 -6.64 -1.26 -4.77 119.36 112.68 2h3a n ILE 24 Ca 0.21 0.00 -0.06 0.00 -1.77 0.00 0.00 62.75 61.13 2h3a n ILE 24 Cb 0.17 0.00 -0.06 0.00 -1.44 0.00 0.00 39.64 38.32 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 0.27 -0.60 0.24 7.28 3.41 -1.26 0.15 113.62 123.11 2h3a n SER 25 Ca 0.00 1.33 0.14 0.00 -0.26 0.00 0.00 58.87 60.08 2h3a n SER 25 Cb 0.00 -0.29 0.41 0.00 -0.26 0.00 0.00 64.21 64.07 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 0.36 5.00 0.00 -1.96 -3.29 103.07 103.18 2h3a h GLY 26 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 2h3a h GLY 26 CO -0.53 0.00 -0.15 -2.00 0.00 0.00 0.00 176.54 173.86 2h3a h LEU 27 N 0.00 -0.35 -0.00 3.11 7.12 -0.45 -2.48 115.31 122.26 2h3a h LEU 27 Ca -0.00 -0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.93 2h3a h LEU 27 Cb 0.78 0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 41.01 2h3a h LEU 27 CO 0.00 0.12 -0.00 0.58 -0.13 0.00 0.00 178.44 179.01 2h3a h VAL 28 N -1.06 0.00 -1.04 1.05 2.07 0.13 0.98 116.25 118.38 2h3a h VAL 28 Ca -0.04 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.75 2h3a h VAL 28 Cb 0.41 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 2h3a h VAL 28 CO 0.07 0.00 0.70 0.77 0.02 0.00 0.00 177.57 179.12 2h3a h SER 29 N -0.00 0.29 0.21 0.57 4.64 -1.73 0.56 113.55 118.09 2h3a h SER 29 Ca 0.00 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 2h3a h SER 29 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2h3a h SER 29 CO -0.00 0.07 -0.10 0.74 -0.87 0.00 0.00 176.83 176.67 2h3a h THR 30 N 0.27 0.84 -0.80 2.95 2.02 -0.61 -2.06 112.91 115.52 2h3a h THR 30 Ca 0.55 -0.89 0.14 0.00 0.77 0.00 0.00 66.41 66.99 2h3a h THR 30 Cb 1.65 1.32 -0.09 0.00 -1.74 0.00 0.00 68.15 69.28 2h3a h THR 30 CO -0.19 0.18 0.37 0.74 0.37 0.00 0.00 175.52 177.00 2h3a h THR 31 N -0.76 0.70 -0.32 3.16 2.02 0.28 -0.90 112.91 117.09 2h3a h THR 31 Ca -0.03 -0.19 0.05 0.00 0.77 0.00 0.00 66.41 67.02 2h3a h THR 31 Cb 0.51 0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 2h3a h THR 31 CO 0.05 0.10 0.04 0.24 0.37 0.00 0.00 175.52 176.32 2h3a h MET 32 N 0.54 0.15 -0.73 6.66 2.86 0.15 1.14 114.93 125.70 2h3a h MET 32 Ca 0.44 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 58.07 2h3a h MET 32 Cb 0.63 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.22 2h3a h MET 32 CO -0.38 0.10 0.48 -0.56 1.06 0.00 0.00 176.91 177.61 2h3a h GLN 33 N 0.15 0.96 -0.02 1.72 -0.00 -0.45 2.89 115.11 120.36 2h3a h GLN 33 Ca 0.15 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.74 2h3a h GLN 33 Cb 0.18 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.48 27.45 2h3a h GLN 33 CO -0.22 0.64 -0.01 -0.91 -0.00 0.00 0.00 178.83 178.33 2h3a h ASN 34 N 0.99 0.04 0.27 0.06 2.35 -0.79 0.70 115.58 119.21 2h3a h ASN 34 Ca 0.27 -0.37 -0.05 0.00 -0.55 0.00 0.00 56.30 55.60 2h3a h ASN 34 Cb -0.11 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 2h3a h ASN 34 CO -0.06 0.40 -0.23 -0.08 -1.65 0.00 0.00 177.43 175.81 2h3a h GLU 35 N -0.31 0.00 -0.22 0.81 4.57 0.17 0.50 114.58 120.10 2h3a h GLU 35 Ca 0.01 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 2h3a h GLU 35 Cb 0.38 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2h3a h GLU 35 CO 0.00 0.23 -0.10 0.00 -1.18 0.00 0.00 179.01 177.97 2h3a h ALA 36 N 1.77 0.31 0.34 2.92 0.00 0.55 2.03 119.26 127.19 2h3a h ALA 36 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2h3a h ALA 36 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2h3a h ALA 36 CO 0.03 0.14 -0.17 0.00 0.00 0.00 0.00 179.25 179.26 2h3a h ARG 37 N 0.17 -0.45 0.00 0.00 3.08 -0.22 -3.11 114.38 113.85 2h3a h ARG 37 Ca 0.05 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2h3a h ARG 37 Cb 0.58 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2h3a h ARG 37 CO 0.03 -0.18 0.00 -0.09 -1.07 0.00 0.00 179.97 178.66 2h3a h ARG 38 N -0.67 0.00 0.00 0.04 9.65 -0.01 -3.48 114.38 119.91 2h3a h ARG 38 Ca -0.05 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2h3a h ARG 38 Cb 0.47 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 2h3a h ARG 38 CO 0.08 0.00 0.00 -0.11 2.80 0.00 0.00 179.97 182.74 2h3a n LEU 39 N -2.77 0.00 0.00 3.80 0.00 0.69 0.12 117.00 118.84 2h3a n LEU 39 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.04 2h3a n LEU 39 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.80 2h3a n LEU 39 CO 0.28 0.00 0.00 -1.14 0.00 0.00 0.00 177.39 176.53 2h3a n ARG 40 N 0.00 0.00 -3.15 1.96 0.00 -1.26 -4.96 116.66 109.25 2h3a n ARG 40 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 2h3a n ARG 40 Cb 0.00 -1.21 -0.05 0.00 0.00 0.00 0.00 32.46 31.21 2h3a n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2h3a n ALA 41 N -0.44 4.60 -1.79 5.13 0.00 0.32 -5.07 120.51 123.26 2h3a n ALA 41 Ca 0.00 -4.75 -0.39 0.00 0.00 0.00 0.00 53.44 48.30 2h3a n ALA 41 Cb 0.00 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.22 2h3a n ALA 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2h3a s GLU 42 N -3.00 4.73 0.00 0.00 -6.30 -1.26 -4.92 118.70 107.96 2h3a s GLU 42 Ca 0.41 1.39 0.00 0.00 -2.50 0.00 0.00 54.97 54.27 2h3a s GLU 42 Cb 0.18 -3.13 0.00 0.00 0.00 0.00 0.00 34.13 31.18 2h3a s GLU 42 CO -0.04 0.45 0.00 -2.13 0.02 0.00 0.00 175.26 173.56 2h3a n ARG 43 N 1.22 0.00 -2.30 4.30 0.63 -1.26 -5.17 116.66 114.07 2h3a n ARG 43 Ca -0.01 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.60 2h3a n ARG 43 Cb 0.48 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.37 2h3a n ARG 43 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 2h3a s TRP 44 N 0.00 3.48 0.16 -0.14 1.48 -1.26 -5.09 118.94 117.57 2h3a s TRP 44 Ca 0.00 1.43 -0.15 0.00 -1.06 0.00 0.00 56.10 56.32 2h3a s TRP 44 Cb 0.00 -2.78 0.03 0.00 -1.16 0.00 0.00 33.47 29.56 2h3a s TRP 44 CO 0.00 -0.42 0.42 0.21 -4.06 0.00 0.00 176.95 173.10 2h3a s LYS 45 N -4.27 1.19 -0.53 3.25 2.47 -1.26 -5.10 119.74 115.49 2h3a s LYS 45 Ca 0.58 -0.84 0.07 0.00 -1.56 0.00 0.00 55.97 54.22 2h3a s LYS 45 Cb -0.10 0.47 0.34 0.00 -1.46 0.00 0.00 37.83 37.08 2h3a s LYS 45 CO 0.35 -0.48 0.88 0.28 0.16 0.00 0.00 175.35 176.55 2h3a n VAL 46 N -0.26 2.23 -4.16 4.02 0.31 -1.26 -5.06 118.33 114.15 2h3a n VAL 46 Ca -0.13 -5.31 -0.16 0.00 -0.01 0.00 0.00 64.34 58.73 2h3a n VAL 46 Cb 0.63 -1.16 -0.12 0.00 -0.91 0.00 0.00 33.84 32.27 2h3a n VAL 46 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2h3a s GLU 47 N -3.16 0.63 0.31 5.55 8.01 -1.26 -5.16 118.70 123.62 2h3a s GLU 47 Ca 0.46 -0.67 -0.07 0.00 0.01 0.00 0.00 54.97 54.70 2h3a s GLU 47 Cb 0.29 -0.52 0.03 0.00 -4.31 0.00 0.00 34.13 29.62 2h3a s GLU 47 CO -0.12 0.12 0.52 -1.71 0.01 0.00 0.00 175.26 174.08 2h3a n ASN 48 N 1.82 -1.50 -3.69 -0.19 2.85 -1.26 -5.17 115.26 108.11 2h3a n ASN 48 Ca -0.20 -2.46 -0.13 0.00 -0.11 0.00 0.00 54.58 51.68 2h3a n ASN 48 Cb 0.55 2.62 -0.13 0.00 1.24 0.00 0.00 39.78 44.07 2h3a n ASN 48 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2h3a s GLN 49 N -2.39 0.19 0.95 1.20 -2.07 -1.26 -5.17 119.66 111.11 2h3a s GLN 49 Ca 0.19 0.68 -0.14 0.00 -1.82 0.00 0.00 55.36 54.27 2h3a s GLN 49 Cb -0.02 -0.05 0.21 0.00 -1.09 0.00 0.00 33.01 32.06 2h3a s GLN 49 CO 0.14 -0.23 1.29 -1.21 -1.32 0.00 0.00 175.29 173.97 2h3a s GLU 50 N 1.90 0.55 0.00 9.60 2.02 -1.26 -5.07 118.70 126.44 2h3a s GLU 50 Ca -0.04 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.27 2h3a s GLU 50 Cb -0.11 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.20 2h3a s GLU 50 CO -0.09 -2.41 0.00 0.41 0.02 0.00 0.00 175.26 173.19 2h3a n GLY 51 N -3.68 3.27 0.00 -1.39 0.00 -1.26 -5.16 105.19 96.97 2h3a n GLY 51 Ca 0.17 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2h3a n GLY 51 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2h3a n MET 52 N 0.00 0.00 -3.15 1.61 2.81 -1.26 -5.09 117.12 112.04 2h3a n MET 52 Ca 0.00 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.84 2h3a n MET 52 Cb 0.00 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.53 2h3a n MET 52 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2h3a n VAL 53 N 0.00 -9.56 -3.79 2.03 0.31 -1.26 -5.00 118.33 101.07 2h3a n VAL 53 Ca 0.00 -0.48 -0.36 0.00 -0.01 0.00 0.00 64.34 63.48 2h3a n VAL 53 Cb 0.00 -6.60 -0.12 0.00 -0.91 0.00 0.00 33.84 26.21 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 -3.46 2.08 0.00 5.55 -1.05 -1.26 -4.90 118.70 115.66 2h3a s GLU 54 Ca 0.11 -1.73 0.00 0.00 -0.15 0.00 0.00 54.97 53.20 2h3a s GLU 54 Cb -0.02 -3.54 0.00 0.00 -0.44 0.00 0.00 34.13 30.14 2h3a s GLU 54 CO 0.76 -1.00 0.00 0.28 0.95 0.00 0.00 175.26 176.24 2h3a n VAL 55 N 4.61 0.00 -2.12 1.83 0.31 -1.26 -5.13 118.33 116.57 2h3a n VAL 55 Ca -0.04 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.27 2h3a n VAL 55 Cb 0.42 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 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 -1.66 -3.14 -3.65 3.52 0.00 -1.26 -5.10 120.51 109.22 2h3a n ALA 56 Ca 0.00 0.40 -0.06 0.00 0.00 0.00 0.00 53.44 53.78 2h3a n ALA 56 Cb 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 19.45 18.26 2h3a n ALA 56 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2h3a s ARG 57 N -1.25 0.60 0.00 0.00 3.00 -1.26 -5.13 118.95 114.91 2h3a s ARG 57 Ca 0.06 1.20 0.00 0.00 0.00 0.00 0.00 55.73 56.99 2h3a s ARG 57 Cb -0.02 0.32 0.00 0.00 0.00 0.00 0.00 34.95 35.25 2h3a s ARG 57 CO 0.38 -0.17 0.00 0.34 0.00 0.00 0.00 175.30 175.85 2h3a n PHE 58 N 4.68 0.00 -3.09 -0.53 7.35 -1.26 -5.10 117.46 119.51 2h3a n PHE 58 Ca -0.18 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.34 2h3a n PHE 58 Cb 0.55 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.36 2h3a n PHE 58 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2h3a n ILE 59 N 0.00 -0.28 -4.23 -2.13 2.08 -1.26 -5.12 119.36 108.42 2h3a n ILE 59 Ca 0.00 -3.74 -0.16 0.00 0.56 0.00 0.00 62.75 59.41 2h3a n ILE 59 Cb 0.00 -0.36 -0.08 0.00 -0.75 0.00 0.00 39.64 38.45 2h3a n ILE 59 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2h3a s GLU 60 N -1.44 1.55 0.34 0.38 2.56 -1.26 -5.19 118.70 115.65 2h3a s GLU 60 Ca 0.35 -1.83 -0.09 0.00 0.00 0.00 0.00 54.97 53.41 2h3a s GLU 60 Cb 0.28 0.32 0.02 0.00 2.00 0.00 0.00 34.13 36.75 2h3a s GLU 60 CO -0.10 -0.56 0.60 -1.64 -0.56 0.00 0.00 175.26 173.00 2h3a s MET 61 N -3.71 1.98 0.29 4.30 -1.94 -1.26 -5.19 119.30 113.78 2h3a s MET 61 Ca 0.39 -1.55 0.10 0.00 -1.71 0.00 0.00 55.69 52.92 2h3a s MET 61 Cb 0.04 0.52 -0.05 0.00 2.01 0.00 0.00 34.83 37.35 2h3a s MET 61 CO 0.21 -0.87 -0.02 1.21 -0.01 0.00 0.00 175.02 175.54 2h3a s ASN 62 N -3.14 4.32 0.00 3.03 2.47 -1.26 -5.13 114.94 115.23 2h3a s ASN 62 Ca 0.23 -0.80 0.00 0.00 0.42 0.00 0.00 52.86 52.71 2h3a s ASN 62 Cb -0.02 -0.67 0.00 0.00 -1.45 0.00 0.00 41.25 39.11 2h3a s ASN 62 CO 0.15 -0.08 0.00 0.61 -3.72 0.00 0.00 177.10 174.06 2h3a n GLY 63 N -0.89 3.51 3.23 1.21 0.00 -1.26 -5.19 105.19 105.80 2h3a n GLY 63 Ca -0.05 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 2h3a n GLY 63 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2h3a s SER 64 N 0.00 -0.10 -0.94 1.61 0.15 -1.26 -5.10 113.70 108.06 2h3a s SER 64 Ca 0.00 -0.16 -0.22 0.00 0.70 0.00 0.00 55.95 56.27 2h3a s SER 64 Cb 0.00 0.33 0.08 0.00 -1.71 0.00 0.00 66.02 64.72 2h3a s SER 64 CO 0.00 -0.55 1.27 0.12 1.20 0.00 0.00 173.24 175.28 2h3a s PHE 65 N -2.21 2.76 -0.47 3.44 2.19 -1.26 -4.85 117.98 117.57 2h3a s PHE 65 Ca -0.07 -0.98 0.08 0.00 0.33 0.00 0.00 56.93 56.29 2h3a s PHE 65 Cb -0.02 -4.50 0.32 0.00 -1.31 0.00 0.00 43.02 37.51 2h3a s PHE 65 CO -0.01 -1.75 0.77 0.00 1.83 0.00 0.00 175.22 176.06 2h3a n ALA 66 N 7.89 3.18 -2.32 11.12 0.00 -1.26 -5.06 120.51 134.07 2h3a n ALA 66 Ca 0.24 -3.99 -0.39 0.00 0.00 0.00 0.00 53.44 49.30 2h3a n ALA 66 Cb 0.50 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 2h3a n ALA 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2h3a s ASP 67 N -2.58 5.76 -0.23 0.00 1.11 -1.26 -4.96 116.67 114.51 2h3a s ASP 67 Ca 0.42 -0.17 0.02 0.00 0.18 0.00 0.00 52.55 53.00 2h3a s ASP 67 Cb 0.27 -2.55 0.05 0.00 1.07 0.00 0.00 42.92 41.77 2h3a s ASP 67 CO -0.10 -2.09 -0.11 -1.83 1.18 0.00 0.00 175.17 172.23 2h3a s GLU 68 N 6.30 2.16 0.00 8.23 -1.05 -1.26 -4.97 118.70 128.11 2h3a s GLU 68 Ca 0.50 -1.10 0.00 0.00 -0.15 0.00 0.00 54.97 54.22 2h3a s GLU 68 Cb -0.10 -2.68 0.00 0.00 -0.44 0.00 0.00 34.13 30.91 2h3a s GLU 68 CO 0.16 -0.50 0.00 -1.71 0.95 0.00 0.00 175.26 174.16 2h3a n ASN 69 N 4.56 0.00 0.00 0.83 5.15 -1.26 -5.08 115.26 119.46 2h3a n ASN 69 Ca -0.15 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 2h3a n ASN 69 Cb 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 2h3a n ASN 69 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2h3a n LYS 70 N -1.77 0.00 0.00 1.20 2.85 -1.26 -5.14 118.16 114.03 2h3a n LYS 70 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2h3a n LYS 70 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2h3a n LYS 70 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2h3a n ASP 71 N 0.00 -0.47 0.00 -5.58 -0.08 -1.26 -5.34 116.55 103.83 2h3a n ASP 71 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2h3a n ASP 71 Cb 0.00 0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.89 2h3a n ASP 71 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11