#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 -3.65 3.17 4.76 -1.26 -4.89 118.16 116.29 2h3a n LYS 2 Ca 0.00 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.05 2h3a n LYS 2 Cb 0.00 -0.76 -0.12 0.00 -1.84 0.00 0.00 35.03 32.31 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 0.47 2.91 -0.58 1.97 2.00 -1.26 -5.05 119.66 120.13 2h3a s GLN 3 Ca 0.48 -1.01 -0.28 0.00 -2.00 0.00 0.00 55.36 52.55 2h3a s GLN 3 Cb -0.68 -3.62 0.03 0.00 0.80 0.00 0.00 33.01 29.53 2h3a s GLN 3 CO 0.33 -0.62 1.24 0.50 -0.50 0.00 0.00 175.29 176.24 2h3a s ARG 4 N 1.53 3.48 -0.20 1.67 3.52 -1.26 -4.98 118.95 122.72 2h3a s ARG 4 Ca 0.02 0.29 -0.03 0.00 -0.13 0.00 0.00 55.73 55.88 2h3a s ARG 4 Cb -0.19 -4.04 -0.01 0.00 -1.56 0.00 0.00 34.95 29.16 2h3a s ARG 4 CO 0.06 -1.73 -0.07 0.96 -0.81 0.00 0.00 175.30 173.71 2h3a s ILE 5 N 5.16 3.27 -0.08 4.11 -0.00 -1.26 -5.09 121.20 127.31 2h3a s ILE 5 Ca 0.45 -0.54 0.03 0.00 -0.00 0.00 0.00 60.65 60.59 2h3a s ILE 5 Cb -0.08 -2.46 0.01 0.00 -0.00 0.00 0.00 42.46 39.93 2h3a s ILE 5 CO 0.25 0.45 -0.17 0.28 -0.00 0.00 0.00 174.94 175.76 2h3a s THR 6 N 1.21 1.49 -0.45 8.37 -1.32 -1.26 -5.09 115.64 118.59 2h3a s THR 6 Ca 0.02 -0.68 -0.15 0.00 -1.21 0.00 0.00 61.69 59.67 2h3a s THR 6 Cb -0.14 -1.32 0.05 0.00 -1.51 0.00 0.00 72.50 69.58 2h3a s THR 6 CO -0.02 0.43 0.35 0.54 -2.21 0.00 0.00 174.62 173.71 2h3a s VAL 7 N 0.57 5.19 -0.75 5.08 0.11 -1.26 -5.02 120.40 124.33 2h3a s VAL 7 Ca -0.16 -0.92 -0.26 0.00 -2.93 0.00 0.00 61.98 57.72 2h3a s VAL 7 Cb -0.17 -4.02 -0.03 0.00 -1.53 0.00 0.00 36.38 30.64 2h3a s VAL 7 CO 0.05 -0.47 1.86 0.42 -3.33 0.00 0.00 175.10 173.63 2h3a s THR 8 N 1.65 3.43 0.00 5.04 -4.23 -1.26 -4.93 115.64 115.33 2h3a s THR 8 Ca 0.04 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 2h3a s THR 8 Cb -0.22 -4.05 0.00 0.00 1.34 0.00 0.00 72.50 69.57 2h3a s THR 8 CO 0.08 -1.00 0.00 0.52 -0.54 0.00 0.00 174.62 173.68 2h3a n VAL 9 N 7.43 0.00 0.00 2.29 0.31 -1.26 -4.80 118.33 122.31 2h3a n VAL 9 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 2h3a n VAL 9 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 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 0.07 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 -0.24 -1.92 0.00 0.00 177.20 175.04 2h3a n SER 11 N 0.00 0.64 0.00 1.67 2.88 -1.26 -5.01 113.62 112.54 2h3a n SER 11 Ca 0.00 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2h3a n SER 11 Cb 0.00 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 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 -3.42 0.00 -1.48 -3.46 9.92 -1.26 -4.92 116.55 111.93 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 0.04 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.53 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 -0.17 0.13 -2.24 7.64 -1.26 -5.02 113.62 112.70 2h3a n SER 13 Ca 0.00 -1.01 -0.23 0.00 1.01 0.00 0.00 58.87 58.63 2h3a n SER 13 Cb 0.00 0.08 -0.16 0.00 -1.01 0.00 0.00 64.21 63.12 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 0.10 0.89 -0.84 1.43 5.03 -1.98 -3.36 116.97 118.24 2h3a h TYR 14 Ca -0.06 -0.65 0.18 0.00 2.58 0.00 0.00 58.73 60.78 2h3a h TYR 14 Cb 0.97 -0.04 -0.11 0.00 1.55 0.00 0.00 36.73 39.11 2h3a h TYR 14 CO -0.19 1.53 0.37 1.96 -1.32 0.00 0.00 178.16 180.51 2h3a h GLN 15 N 0.13 0.44 -1.13 1.82 4.20 -1.97 -1.10 115.11 117.50 2h3a h GLN 15 Ca -0.25 -0.03 0.32 0.00 0.06 0.00 0.00 58.65 58.75 2h3a h GLN 15 Cb 2.14 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 29.76 2h3a h GLN 15 CO 0.26 0.29 0.78 -0.07 -0.67 0.00 0.00 178.83 179.42 2h3a h LEU 16 N 0.45 0.15 0.09 1.46 3.38 -1.94 2.03 115.31 120.94 2h3a h LEU 16 Ca 0.49 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.49 2h3a h LEU 16 Cb 0.84 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2h3a h LEU 16 CO -0.46 0.02 -0.04 -0.07 0.09 0.00 0.00 178.44 177.97 2h3a h LEU 17 N 0.13 -0.11 -2.20 1.67 -0.00 -1.44 -3.21 115.31 110.14 2h3a h LEU 17 Ca 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.45 2h3a h LEU 17 Cb 2.01 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 42.69 2h3a h LEU 17 CO -0.11 0.37 -0.05 0.07 -0.00 0.00 0.00 178.44 178.72 2h3a h LYS 18 N -1.03 0.00 -0.07 1.13 2.10 -1.08 -0.72 116.57 116.91 2h3a h LYS 18 Ca -0.01 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.61 2h3a h LYS 18 Cb 0.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.42 2h3a h LYS 18 CO 0.02 0.05 -0.10 0.00 -2.00 0.00 0.00 179.45 177.43 2h3a h ALA 19 N 1.95 1.71 0.08 0.07 0.00 0.32 -2.74 119.26 120.65 2h3a h ALA 19 Ca -0.00 -0.13 -0.32 0.00 0.00 0.00 0.00 54.91 54.45 2h3a h ALA 19 Cb 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2h3a h ALA 19 CO 0.01 0.22 -1.77 0.10 0.00 0.00 0.00 179.25 177.80 2h3a h TYR 20 N 0.10 0.31 0.00 0.00 -0.00 -1.14 -3.44 116.97 112.80 2h3a h TYR 20 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 58.73 58.53 2h3a h TYR 20 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 36.73 36.96 2h3a h TYR 20 CO 0.00 1.41 0.00 -3.47 -0.00 0.00 0.00 178.16 176.10 2h3a n ASP 21 N -3.33 0.00 -3.15 0.10 2.03 -0.96 -4.25 116.55 106.99 2h3a n ASP 21 Ca -0.23 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.13 2h3a n ASP 21 Cb 1.05 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 41.45 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 -0.95 0.00 5.18 1.01 -1.04 -4.98 120.40 119.62 2h3a s VAL 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2h3a s VAL 22 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.42 2h3a s VAL 22 CO 0.00 0.00 0.01 0.59 0.00 0.00 0.00 175.10 175.70 2h3a n ASN 23 N 5.40 0.00 0.00 3.32 3.02 -1.26 -2.44 115.26 123.31 2h3a n ASN 23 Ca 0.05 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2h3a n ASN 23 Cb 0.54 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 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 -0.01 0.00 -0.22 2.41 -6.64 -1.26 -4.35 119.36 109.29 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 0.20 -0.05 0.00 -1.44 0.00 0.00 39.64 38.34 2h3a n ILE 24 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 2h3a n SER 25 N 0.00 -0.56 0.12 7.28 2.88 -1.26 0.16 113.62 122.24 2h3a n SER 25 Ca 0.00 1.36 0.05 0.00 -1.33 0.00 0.00 58.87 58.95 2h3a n SER 25 Cb 0.42 -0.33 0.02 0.00 -0.75 0.00 0.00 64.21 63.57 2h3a n SER 25 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2h3a h GLY 26 N 0.00 0.00 0.73 0.46 0.00 -1.98 -3.29 103.07 98.99 2h3a h GLY 26 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 2h3a h GLY 26 CO -0.49 0.00 -0.28 -2.00 0.00 0.00 0.00 176.54 173.77 2h3a h LEU 27 N 0.00 -0.66 0.11 3.11 7.12 -1.39 0.29 115.31 123.89 2h3a h LEU 27 Ca -0.04 -0.04 0.01 0.00 0.13 0.00 0.00 57.88 57.94 2h3a h LEU 27 Cb 1.29 0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 41.56 2h3a h LEU 27 CO 0.04 -0.30 -0.36 0.58 -0.13 0.00 0.00 178.44 178.27 2h3a h VAL 28 N -1.06 0.00 -0.65 1.05 2.07 0.14 1.06 116.25 118.86 2h3a h VAL 28 Ca -0.08 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.57 2h3a h VAL 28 Cb 0.65 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.32 2h3a h VAL 28 CO 0.13 0.00 0.10 0.77 0.02 0.00 0.00 177.57 178.59 2h3a h SER 29 N -0.53 -0.09 0.01 0.57 4.64 -1.65 0.95 113.55 117.46 2h3a h SER 29 Ca -0.01 0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2h3a h SER 29 Cb 0.52 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2h3a h SER 29 CO -0.18 -0.05 -0.01 0.74 -0.87 0.00 0.00 176.83 176.47 2h3a h THR 30 N 0.22 1.35 -0.97 2.95 2.02 -0.07 -1.63 112.91 116.77 2h3a h THR 30 Ca 0.35 -1.11 0.11 0.00 0.77 0.00 0.00 66.41 66.53 2h3a h THR 30 Cb 0.57 2.10 -0.08 0.00 -1.74 0.00 0.00 68.15 68.99 2h3a h THR 30 CO -0.48 0.29 0.62 0.74 0.37 0.00 0.00 175.52 177.05 2h3a h THR 31 N -0.50 0.94 0.72 3.16 2.02 0.17 -1.25 112.91 118.16 2h3a h THR 31 Ca -0.00 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 2h3a h THR 31 Cb 0.48 -0.11 0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2h3a h THR 31 CO 0.00 0.18 -0.35 0.24 0.37 0.00 0.00 175.52 175.96 2h3a h MET 32 N 0.96 -0.93 -0.98 6.66 2.86 0.11 0.67 114.93 124.28 2h3a h MET 32 Ca 0.47 0.06 0.14 0.00 -2.06 0.00 0.00 59.70 58.31 2h3a h MET 32 Cb 0.46 0.21 -0.09 0.00 0.06 0.00 0.00 31.60 32.24 2h3a h MET 32 CO -0.23 -0.61 0.60 -0.56 1.06 0.00 0.00 176.91 177.17 2h3a h GLN 33 N -1.00 0.87 -0.04 1.72 -0.00 -0.72 2.50 115.11 118.45 2h3a h GLN 33 Ca -0.10 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 58.48 2h3a h GLN 33 Cb 0.75 -0.20 -0.00 0.00 -0.00 0.00 0.00 27.48 28.03 2h3a h GLN 33 CO 0.16 0.58 -0.05 -0.91 -0.00 0.00 0.00 178.83 178.61 2h3a h ASN 34 N 0.90 0.11 0.65 0.06 2.35 -1.04 -0.11 115.58 118.49 2h3a h ASN 34 Ca 0.51 -0.53 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 2h3a h ASN 34 Cb 0.58 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 2h3a h ASN 34 CO -0.30 0.62 -0.21 -0.33 -1.65 0.00 0.00 177.43 175.56 2h3a h GLU 35 N -0.40 0.00 -0.08 0.81 4.39 0.11 0.77 114.58 120.17 2h3a h GLU 35 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2h3a h GLU 35 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2h3a h GLU 35 CO 0.01 0.21 -0.15 0.00 -1.16 0.00 0.00 179.01 177.92 2h3a h ALA 36 N 1.79 0.13 0.35 3.43 0.00 0.44 0.47 119.26 125.87 2h3a h ALA 36 Ca -0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2h3a h ALA 36 Cb 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2h3a h ALA 36 CO 0.03 0.03 -0.17 0.00 0.00 0.00 0.00 179.25 179.14 2h3a h ARG 37 N -0.22 -0.46 -0.01 0.00 3.08 -0.77 -3.24 114.38 112.77 2h3a h ARG 37 Ca 0.00 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.10 2h3a h ARG 37 Cb 0.73 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 2h3a h ARG 37 CO 0.03 -0.16 -0.06 -0.09 -1.07 0.00 0.00 179.97 178.62 2h3a h ARG 38 N -0.75 -0.11 -2.41 0.04 9.65 -0.93 -3.45 114.38 116.42 2h3a h ARG 38 Ca -0.05 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2h3a h ARG 38 Cb 0.51 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 2h3a h ARG 38 CO 0.08 -0.07 0.00 -0.11 2.80 0.00 0.00 179.97 182.67 2h3a n LEU 39 N -5.18 0.00 0.00 3.80 0.00 0.17 -4.69 117.00 111.09 2h3a n LEU 39 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.95 2h3a n LEU 39 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.53 2h3a n LEU 39 CO 0.30 0.00 0.00 -1.14 0.00 0.00 0.00 177.39 176.55 2h3a n ARG 40 N -0.24 0.00 -3.51 1.96 0.63 -1.26 -5.07 116.66 109.16 2h3a n ARG 40 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 2h3a n ARG 40 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 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 -1.81 -0.04 5.13 0.00 -1.26 -5.17 121.76 118.61 2h3a s ALA 41 Ca 0.00 1.12 -0.02 0.00 0.00 0.00 0.00 51.96 53.06 2h3a s ALA 41 Cb 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2h3a s ALA 41 CO 0.00 -0.57 0.10 -2.00 0.00 0.00 0.00 175.76 173.29 2h3a s GLU 42 N -2.48 3.21 0.47 0.00 2.56 -1.26 -5.12 118.70 116.07 2h3a s GLU 42 Ca 0.01 -0.37 0.04 0.00 0.00 0.00 0.00 54.97 54.65 2h3a s GLU 42 Cb -0.01 -2.97 0.02 0.00 2.00 0.00 0.00 34.13 33.18 2h3a s GLU 42 CO -0.05 0.69 0.66 -0.98 -0.56 0.00 0.00 175.26 175.02 2h3a s ARG 43 N -1.52 2.74 0.00 4.30 1.04 -1.26 -5.13 118.95 119.12 2h3a s ARG 43 Ca 0.21 -0.97 0.00 0.00 -1.04 0.00 0.00 55.73 53.93 2h3a s ARG 43 Cb -0.12 -2.63 0.00 0.00 -2.04 0.00 0.00 34.95 30.16 2h3a s ARG 43 CO 0.11 -0.44 0.00 -2.67 -0.04 0.00 0.00 175.30 172.26 2h3a n TRP 44 N -2.07 0.00 -4.52 5.89 4.27 -1.26 -5.15 117.44 114.61 2h3a n TRP 44 Ca 0.07 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.34 2h3a n TRP 44 Cb 0.59 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.40 2h3a n TRP 44 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 2h3a s LYS 45 N 1.75 3.44 -0.03 -2.67 3.01 -1.26 -5.11 119.74 118.87 2h3a s LYS 45 Ca 0.00 -0.64 0.01 0.00 -1.01 0.00 0.00 55.97 54.33 2h3a s LYS 45 Cb 0.00 -2.76 0.01 0.00 -1.01 0.00 0.00 37.83 34.07 2h3a s LYS 45 CO 0.00 0.13 -0.05 0.14 0.51 0.00 0.00 175.35 176.09 2h3a s VAL 46 N 0.58 0.46 -0.13 3.17 -7.23 -1.26 -5.14 120.40 110.86 2h3a s VAL 46 Ca -0.06 -0.15 -0.06 0.00 -1.81 0.00 0.00 61.98 59.90 2h3a s VAL 46 Cb -0.15 -0.46 0.06 0.00 0.56 0.00 0.00 36.38 36.39 2h3a s VAL 46 CO 0.03 0.18 0.29 -1.61 -0.31 0.00 0.00 175.10 173.67 2h3a s GLU 47 N 0.49 0.22 -0.29 4.82 0.41 -1.26 -5.15 118.70 117.94 2h3a s GLU 47 Ca -0.06 0.67 -0.28 0.00 -0.41 0.00 0.00 54.97 54.89 2h3a s GLU 47 Cb -0.10 -0.05 0.19 0.00 -1.78 0.00 0.00 34.13 32.40 2h3a s GLU 47 CO -0.00 -0.21 1.38 1.21 -0.49 0.00 0.00 175.26 177.15 2h3a s ASN 48 N 1.72 -0.04 -0.22 -0.19 2.47 -1.26 -5.16 114.94 112.27 2h3a s ASN 48 Ca -0.06 0.05 -0.10 0.00 0.42 0.00 0.00 52.86 53.18 2h3a s ASN 48 Cb -0.11 0.04 -0.05 0.00 -1.45 0.00 0.00 41.25 39.69 2h3a s ASN 48 CO -0.09 -0.03 0.14 -1.10 -3.72 0.00 0.00 177.10 172.29 2h3a s GLN 49 N -0.76 4.11 -0.03 0.43 1.11 -1.26 -5.09 119.66 118.17 2h3a s GLN 49 Ca 0.08 -0.26 -0.07 0.00 0.01 0.00 0.00 55.36 55.13 2h3a s GLN 49 Cb -0.02 -3.45 0.01 0.00 -1.01 0.00 0.00 33.01 28.54 2h3a s GLN 49 CO -0.10 0.18 0.15 -1.21 0.01 0.00 0.00 175.29 174.33 2h3a s GLU 50 N 0.69 0.33 -0.33 2.91 2.02 -1.26 -5.12 118.70 117.94 2h3a s GLU 50 Ca 0.07 -0.06 -0.09 0.00 0.02 0.00 0.00 54.97 54.91 2h3a s GLU 50 Cb -0.12 0.15 0.20 0.00 0.10 0.00 0.00 34.13 34.45 2h3a s GLU 50 CO 0.01 -0.07 1.06 0.20 0.02 0.00 0.00 175.26 176.49 2h3a s GLY 51 N -0.61 -1.65 0.23 -1.39 0.00 -1.26 -4.97 107.32 97.68 2h3a s GLY 51 Ca -0.07 1.09 0.01 0.00 0.00 0.00 0.00 44.72 45.74 2h3a s GLY 51 CO 0.01 4.31 0.06 1.15 0.00 0.00 0.00 173.10 178.63 2h3a n MET 52 N 3.39 1.34 -3.68 2.90 0.00 -1.26 -5.16 117.12 114.64 2h3a n MET 52 Ca 0.07 -1.61 -0.12 0.00 0.00 0.00 0.00 57.70 56.04 2h3a n MET 52 Cb 0.64 0.35 -0.09 0.00 0.00 0.00 0.00 33.22 34.12 2h3a n MET 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2h3a s VAL 53 N -1.61 -0.01 0.40 3.17 0.11 -1.26 -4.47 120.40 116.73 2h3a s VAL 53 Ca 0.05 0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.16 2h3a s VAL 53 Cb -0.00 -0.78 -0.02 0.00 -1.53 0.00 0.00 36.38 34.05 2h3a s VAL 53 CO 0.03 0.01 0.15 1.21 -3.33 0.00 0.00 175.10 173.17 2h3a n GLU 54 N 3.41 0.58 0.00 1.54 2.13 -1.26 -5.11 120.64 121.93 2h3a n GLU 54 Ca -0.17 -3.39 0.00 0.00 0.66 0.00 0.00 57.16 54.26 2h3a n GLU 54 Cb 0.56 1.87 0.00 0.00 0.27 0.00 0.00 31.44 34.15 2h3a n GLU 54 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2h3a n VAL 55 N -0.89 0.00 0.00 6.31 0.31 -1.26 -4.92 118.33 117.88 2h3a n VAL 55 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2h3a n VAL 55 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 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 0.00 -3.67 3.52 0.00 -1.26 -5.06 120.51 111.05 2h3a n ALA 56 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2h3a n ALA 56 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2h3a n ALA 56 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2h3a s ARG 57 N 0.00 0.16 -0.38 0.00 3.03 -1.26 -5.05 118.95 115.45 2h3a s ARG 57 Ca 0.00 0.43 0.11 0.00 2.03 0.00 0.00 55.73 58.31 2h3a s ARG 57 Cb 0.00 -0.12 0.41 0.00 -1.03 0.00 0.00 34.95 34.20 2h3a s ARG 57 CO 0.00 -0.15 1.22 0.34 -1.13 0.00 0.00 175.30 175.58 2h3a n PHE 58 N 4.09 -1.42 0.00 5.89 -0.00 -1.26 -4.94 117.46 119.82 2h3a n PHE 58 Ca -0.25 -2.20 0.00 0.00 -0.00 0.00 0.00 57.45 55.00 2h3a n PHE 58 Cb 0.53 1.02 0.00 0.00 -0.00 0.00 0.00 39.48 41.03 2h3a n PHE 58 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 2h3a n ILE 59 N -0.40 0.00 -2.37 -2.13 -0.00 -1.26 -5.06 119.36 108.14 2h3a n ILE 59 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.76 2h3a n ILE 59 Cb 0.83 -0.57 0.00 0.00 -0.00 0.00 0.00 39.64 39.91 2h3a n ILE 59 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2h3a n GLU 60 N -2.33 -0.36 -3.73 0.38 4.71 -1.26 -4.88 120.64 113.17 2h3a n GLU 60 Ca 0.00 -0.18 -0.12 0.00 -0.01 0.00 0.00 57.16 56.85 2h3a n GLU 60 Cb 0.17 0.32 -0.12 0.00 -1.01 0.00 0.00 31.44 30.80 2h3a n GLU 60 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 2h3a s MET 61 N -2.57 0.32 0.12 3.49 -1.94 -1.26 -5.17 119.30 112.29 2h3a s MET 61 Ca 0.00 0.56 -0.24 0.00 -1.71 0.00 0.00 55.69 54.30 2h3a s MET 61 Cb 0.00 0.02 0.07 0.00 2.01 0.00 0.00 34.83 36.93 2h3a s MET 61 CO 0.00 -0.12 0.63 0.54 -0.01 0.00 0.00 175.02 176.06 2h3a s ASN 62 N 0.87 -0.57 0.00 3.03 2.20 -1.26 -5.16 114.94 114.05 2h3a s ASN 62 Ca -0.06 0.10 0.00 0.00 -0.94 0.00 0.00 52.86 51.97 2h3a s ASN 62 Cb -0.07 0.58 0.00 0.00 -2.00 0.00 0.00 41.25 39.76 2h3a s ASN 62 CO -0.06 -0.90 0.00 0.61 -2.94 0.00 0.00 177.10 173.81 2h3a n GLY 63 N -0.19 2.97 3.57 0.45 0.00 -1.26 -5.16 105.19 105.57 2h3a n GLY 63 Ca -0.17 -1.53 -0.16 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.67 -0.28 1.61 0.15 -1.26 -5.17 113.70 108.08 2h3a s SER 64 Ca 0.00 0.98 -0.16 0.00 0.70 0.00 0.00 55.95 57.47 2h3a s SER 64 Cb 0.00 0.89 0.11 0.00 -1.71 0.00 0.00 66.02 65.30 2h3a s SER 64 CO 0.00 -0.44 0.81 0.12 1.20 0.00 0.00 173.24 174.92 2h3a s PHE 65 N -0.55 -0.86 -0.48 3.44 2.19 -1.26 -5.11 117.98 115.36 2h3a s PHE 65 Ca -0.06 1.73 0.05 0.00 0.33 0.00 0.00 56.93 58.98 2h3a s PHE 65 Cb -0.02 0.52 0.23 0.00 -1.31 0.00 0.00 43.02 42.43 2h3a s PHE 65 CO 0.06 -0.43 0.89 0.00 1.83 0.00 0.00 175.22 177.56 2h3a n ALA 66 N 4.07 -1.86 -0.99 11.12 0.00 -1.26 -5.05 120.51 126.54 2h3a n ALA 66 Ca -0.19 -1.12 -0.31 0.00 0.00 0.00 0.00 53.44 51.81 2h3a n ALA 66 Cb 0.58 -1.65 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 2h3a n ALA 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2h3a n ASP 67 N 2.05 4.77 -4.80 0.00 9.92 -1.26 -4.92 116.55 122.32 2h3a n ASP 67 Ca 0.11 -2.48 -0.29 0.00 -0.53 0.00 0.00 54.79 51.60 2h3a n ASP 67 Cb 0.62 -1.21 0.11 0.00 -0.64 0.00 0.00 41.12 40.00 2h3a n ASP 67 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2h3a s GLU 68 N 3.61 1.70 0.35 -1.24 -6.30 -1.26 -5.00 118.70 110.55 2h3a s GLU 68 Ca 0.48 0.49 0.00 0.00 -2.50 0.00 0.00 54.97 53.44 2h3a s GLU 68 Cb 0.12 -1.89 0.00 0.00 0.00 0.00 0.00 34.13 32.37 2h3a s GLU 68 CO -0.01 -1.86 0.00 0.09 0.02 0.00 0.00 175.26 173.51 2h3a n ASN 69 N -3.57 -2.11 0.00 -1.70 5.03 -1.26 -5.06 115.26 106.60 2h3a n ASN 69 Ca 0.07 0.64 0.00 0.00 0.87 0.00 0.00 54.58 56.16 2h3a n ASN 69 Cb 0.58 2.08 0.00 0.00 -1.02 0.00 0.00 39.78 41.42 2h3a n ASN 69 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 2h3a n LYS 70 N -3.35 0.00 0.00 3.52 2.85 -1.26 -5.06 118.16 114.85 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 0.00 0.00 -5.58 2.03 -1.26 -5.35 116.55 106.39 2h3a n ASP 71 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2h3a n ASP 71 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2h3a n ASP 71 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61