#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 -0.02 -3.43 3.17 4.76 -1.26 -4.78 118.16 116.60 2h3a n LYS 2 Ca 0.00 0.01 -0.44 0.00 -2.87 0.00 0.00 58.31 55.02 2h3a n LYS 2 Cb 0.00 -0.02 -0.07 0.00 -1.84 0.00 0.00 35.03 33.10 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 -1.57 2.80 -0.77 1.97 2.00 -1.26 -5.02 119.66 117.82 2h3a s GLN 3 Ca 0.00 -1.61 -0.27 0.00 -2.00 0.00 0.00 55.36 51.48 2h3a s GLN 3 Cb 0.00 -4.09 0.03 0.00 0.80 0.00 0.00 33.01 29.75 2h3a s GLN 3 CO 0.00 -1.18 1.32 0.50 -0.50 0.00 0.00 175.29 175.43 2h3a s ARG 4 N 1.52 3.22 -0.37 1.67 3.52 -1.26 -4.96 118.95 122.29 2h3a s ARG 4 Ca 0.04 -0.32 -0.08 0.00 -0.13 0.00 0.00 55.73 55.24 2h3a s ARG 4 Cb -0.27 -4.32 0.05 0.00 -1.56 0.00 0.00 34.95 28.85 2h3a s ARG 4 CO 0.03 -2.18 0.17 0.96 -0.81 0.00 0.00 175.30 173.47 2h3a s ILE 5 N 5.76 4.11 -0.23 4.11 -0.00 -1.26 -5.06 121.20 128.64 2h3a s ILE 5 Ca 0.37 -1.12 -0.08 0.00 -0.00 0.00 0.00 60.65 59.82 2h3a s ILE 5 Cb -0.07 -3.37 -0.04 0.00 -0.00 0.00 0.00 42.46 38.98 2h3a s ILE 5 CO 0.12 -0.28 0.09 0.42 -0.00 0.00 0.00 174.94 175.30 2h3a s THR 6 N 1.45 4.73 -0.46 8.37 -4.23 -1.26 -5.06 115.64 119.18 2h3a s THR 6 Ca 0.01 -0.04 -0.15 0.00 -1.18 0.00 0.00 61.69 60.33 2h3a s THR 6 Cb -0.20 -3.19 0.07 0.00 1.34 0.00 0.00 72.50 70.51 2h3a s THR 6 CO 0.04 0.37 0.37 0.54 -0.54 0.00 0.00 174.62 175.39 2h3a s VAL 7 N 1.16 5.14 -0.89 2.29 0.11 -1.26 -5.01 120.40 121.95 2h3a s VAL 7 Ca 0.05 -1.04 -0.25 0.00 -2.93 0.00 0.00 61.98 57.82 2h3a s VAL 7 Cb -0.14 -4.05 -0.04 0.00 -1.53 0.00 0.00 36.38 30.62 2h3a s VAL 7 CO 0.04 -0.53 1.92 0.42 -3.33 0.00 0.00 175.10 173.61 2h3a s THR 8 N 1.63 3.46 0.00 5.04 -4.23 -1.26 -4.91 115.64 115.38 2h3a s THR 8 Ca 0.04 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 2h3a s THR 8 Cb -0.23 -4.05 0.00 0.00 1.34 0.00 0.00 72.50 69.56 2h3a s THR 8 CO 0.07 -0.99 0.00 0.52 -0.54 0.00 0.00 174.62 173.68 2h3a n VAL 9 N 7.79 0.00 -0.20 2.29 0.31 -1.26 -4.81 118.33 122.45 2h3a n VAL 9 Ca 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.72 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 0.13 4.52 2.03 -1.26 -4.69 116.55 117.27 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 -0.12 0.00 1.67 2.88 -1.26 -5.04 113.62 111.75 2h3a n SER 11 Ca 0.00 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 2h3a n SER 11 Cb 0.00 0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 2h3a n SER 11 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2h3a n ASP 12 N -3.36 0.00 -1.35 -3.46 -0.08 -1.26 -4.90 116.55 102.15 2h3a n ASP 12 Ca 0.00 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2h3a n ASP 12 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.47 2h3a n ASP 12 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2h3a n SER 13 N 0.00 -0.07 0.04 1.67 7.64 -1.26 -5.00 113.62 116.65 2h3a n SER 13 Ca 0.00 -0.86 -0.21 0.00 1.01 0.00 0.00 58.87 58.81 2h3a n SER 13 Cb 0.00 0.03 -0.14 0.00 -1.01 0.00 0.00 64.21 63.09 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 0.04 0.54 -0.80 1.43 5.03 -1.98 -3.38 116.97 117.85 2h3a h TYR 14 Ca -0.02 -0.39 0.17 0.00 2.58 0.00 0.00 58.73 61.06 2h3a h TYR 14 Cb 0.92 -0.02 -0.11 0.00 1.55 0.00 0.00 36.73 39.07 2h3a h TYR 14 CO -0.19 1.44 0.30 1.96 -1.32 0.00 0.00 178.16 180.36 2h3a h GLN 15 N -0.29 0.39 -1.18 1.82 4.20 -1.96 -0.35 115.11 117.74 2h3a h GLN 15 Ca -0.23 -0.02 0.34 0.00 0.06 0.00 0.00 58.65 58.80 2h3a h GLN 15 Cb 1.75 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 29.39 2h3a h GLN 15 CO 0.12 0.26 0.85 -0.07 -0.67 0.00 0.00 178.83 179.32 2h3a h LEU 16 N 0.40 0.03 0.07 1.46 3.38 -1.91 2.04 115.31 120.78 2h3a h LEU 16 Ca 0.46 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.43 2h3a h LEU 16 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2h3a h LEU 16 CO -0.46 0.00 -0.03 -0.07 0.09 0.00 0.00 178.44 177.97 2h3a h LEU 17 N 0.02 -0.07 -2.06 1.67 -0.00 -1.30 -3.31 115.31 110.26 2h3a h LEU 17 Ca 0.57 -0.24 -0.02 0.00 -0.00 0.00 0.00 57.88 58.19 2h3a h LEU 17 Cb 2.23 0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 42.91 2h3a h LEU 17 CO -0.03 0.52 -0.09 0.07 -0.00 0.00 0.00 178.44 178.92 2h3a h LYS 18 N -1.00 0.00 -0.33 1.13 2.10 -1.17 -1.22 116.57 116.08 2h3a h LYS 18 Ca -0.01 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.74 2h3a h LYS 18 Cb 0.31 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.63 2h3a h LYS 18 CO 0.01 0.09 0.34 0.00 -2.00 0.00 0.00 179.45 177.89 2h3a h ALA 19 N 1.91 2.04 0.15 0.07 0.00 0.32 0.72 119.26 124.47 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 0.23 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2h3a h ALA 19 CO 0.01 -0.51 -1.82 1.88 0.00 0.00 0.00 179.25 178.81 2h3a h TYR 20 N 0.00 0.57 0.00 0.00 0.05 -1.33 -3.49 116.97 112.76 2h3a h TYR 20 Ca 0.16 -0.42 0.00 0.00 0.05 0.00 0.00 58.73 58.52 2h3a h TYR 20 Cb 0.83 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.54 2h3a h TYR 20 CO 0.00 1.72 0.00 -3.47 -1.05 0.00 0.00 178.16 175.36 2h3a n ASP 21 N -3.60 0.00 -3.32 3.88 2.03 0.24 -5.13 116.55 110.66 2h3a n ASP 21 Ca -0.28 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 54.91 2h3a n ASP 21 Cb 1.04 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 41.38 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 -0.54 0.00 5.18 0.11 -1.25 -5.02 120.40 118.87 2h3a s VAL 22 Ca 0.00 -0.61 -0.02 0.00 -2.93 0.00 0.00 61.98 58.43 2h3a s VAL 22 Cb 0.00 -0.62 -0.07 0.00 -1.53 0.00 0.00 36.38 34.16 2h3a s VAL 22 CO 0.00 -0.39 1.30 0.59 -3.33 0.00 0.00 175.10 173.27 2h3a n ASN 23 N 4.58 1.51 0.00 3.54 4.13 -1.26 -4.02 115.26 123.74 2h3a n ASN 23 Ca 0.08 -1.74 0.00 0.00 1.68 0.00 0.00 54.58 54.61 2h3a n ASN 23 Cb 0.49 -0.40 0.00 0.00 -1.54 0.00 0.00 39.78 38.33 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 2.74 0.00 -0.24 2.41 -6.64 -1.26 -4.75 119.36 111.61 2h3a n ILE 24 Ca 0.11 0.00 -0.06 0.00 -1.77 0.00 0.00 62.75 61.03 2h3a n ILE 24 Cb 0.25 0.00 -0.06 0.00 -1.44 0.00 0.00 39.64 38.39 2h3a n ILE 24 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 2h3a n SER 25 N 1.73 -0.61 0.15 7.28 7.64 -1.26 0.19 113.62 128.74 2h3a n SER 25 Ca 0.00 1.27 0.12 0.00 1.01 0.00 0.00 58.87 61.27 2h3a n SER 25 Cb 0.00 -0.26 0.25 0.00 -1.01 0.00 0.00 64.21 63.19 2h3a n SER 25 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2h3a h GLY 26 N 0.00 0.00 0.56 0.23 0.00 -1.97 -3.31 103.07 98.58 2h3a h GLY 26 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 2h3a h GLY 26 CO -0.54 0.00 -0.27 -2.00 0.00 0.00 0.00 176.54 173.73 2h3a h LEU 27 N 0.00 -0.64 -0.11 3.11 7.12 -0.62 0.14 115.31 124.31 2h3a h LEU 27 Ca 0.00 0.02 0.01 0.00 0.13 0.00 0.00 57.88 58.04 2h3a h LEU 27 Cb 0.87 0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 41.14 2h3a h LEU 27 CO 0.00 -0.29 -0.13 0.58 -0.13 0.00 0.00 178.44 178.47 2h3a h VAL 28 N -1.08 0.00 -1.05 1.05 2.07 -0.54 0.92 116.25 117.62 2h3a h VAL 28 Ca -0.08 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.72 2h3a h VAL 28 Cb 0.58 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.24 2h3a h VAL 28 CO 0.13 0.00 0.67 0.77 0.02 0.00 0.00 177.57 179.15 2h3a h SER 29 N -0.08 0.47 0.16 0.57 4.64 -1.67 1.17 113.55 118.82 2h3a h SER 29 Ca 0.02 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 2h3a h SER 29 Cb 0.13 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2h3a h SER 29 CO -0.15 0.07 -0.08 0.74 -0.87 0.00 0.00 176.83 176.54 2h3a h THR 30 N 0.40 0.97 -0.75 2.95 2.02 0.14 -1.56 112.91 117.08 2h3a h THR 30 Ca 0.62 -0.84 0.10 0.00 0.77 0.00 0.00 66.41 67.06 2h3a h THR 30 Cb 1.54 1.47 -0.05 0.00 -1.74 0.00 0.00 68.15 69.36 2h3a h THR 30 CO -0.33 0.19 0.49 0.74 0.37 0.00 0.00 175.52 176.98 2h3a h THR 31 N -0.64 0.92 0.28 3.16 2.02 0.29 -1.76 112.91 117.17 2h3a h THR 31 Ca -0.02 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2h3a h THR 31 Cb 0.47 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 2h3a h THR 31 CO 0.04 0.11 -0.27 0.24 0.37 0.00 0.00 175.52 176.01 2h3a h MET 32 N 0.62 -0.56 -0.20 6.66 2.86 0.17 0.26 114.93 124.73 2h3a h MET 32 Ca 0.35 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 58.07 2h3a h MET 32 Cb 0.52 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 2h3a h MET 32 CO -0.13 -0.37 -0.04 0.37 1.06 0.00 0.00 176.91 177.80 2h3a h GLN 33 N -0.58 0.01 0.12 1.72 4.15 -0.45 1.79 115.11 121.88 2h3a h GLN 33 Ca -0.01 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 2h3a h GLN 33 Cb 0.53 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 2h3a h GLN 33 CO -0.05 0.01 -0.07 -0.91 -1.93 0.00 0.00 178.83 175.87 2h3a h ASN 34 N 0.01 -0.19 1.05 -0.69 2.35 -1.23 0.98 115.58 117.87 2h3a h ASN 34 Ca 0.10 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2h3a h ASN 34 Cb 0.14 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2h3a h ASN 34 CO -0.20 -0.12 0.00 1.21 -1.65 0.00 0.00 177.43 176.67 2h3a n GLU 35 N -5.18 0.23 0.04 0.81 4.07 0.89 -1.24 120.64 120.26 2h3a n GLU 35 Ca -0.08 0.34 -0.12 0.00 -0.06 0.00 0.00 57.16 57.24 2h3a n GLU 35 Cb 0.11 -1.86 -0.13 0.00 -0.06 0.00 0.00 31.44 29.50 2h3a n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2h3a h ALA 36 N 2.36 0.41 0.06 4.31 0.00 0.39 0.70 119.26 127.48 2h3a h ALA 36 Ca 0.00 -1.13 -0.00 0.00 0.00 0.00 0.00 54.91 53.78 2h3a h ALA 36 Cb 0.53 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2h3a h ALA 36 CO 0.00 1.27 -0.03 0.00 0.00 0.00 0.00 179.25 180.50 2h3a h ARG 37 N 0.03 -0.08 0.22 0.00 2.47 0.12 -3.37 114.38 113.78 2h3a h ARG 37 Ca -0.18 0.01 -0.34 0.00 -1.26 0.00 0.00 59.98 58.20 2h3a h ARG 37 Cb 1.94 0.02 0.02 0.00 -1.65 0.00 0.00 29.97 30.30 2h3a h ARG 37 CO 0.13 0.52 -1.61 -0.09 0.56 0.00 0.00 179.97 179.49 2h3a h ARG 38 N -0.80 0.46 -6.46 0.04 1.12 -1.31 -3.49 114.38 103.94 2h3a h ARG 38 Ca -0.01 -0.78 -0.47 0.00 -1.11 0.00 0.00 59.98 57.61 2h3a h ARG 38 Cb 0.63 0.29 0.04 0.00 -0.01 0.00 0.00 29.97 30.93 2h3a h ARG 38 CO 0.01 1.38 -0.94 1.28 -3.11 0.00 0.00 179.97 178.59 2h3a n LEU 39 N -3.67 -2.12 0.00 3.80 4.32 0.24 -4.92 117.00 114.65 2h3a n LEU 39 Ca -0.21 -1.06 0.00 0.00 -0.02 0.00 0.00 56.01 54.72 2h3a n LEU 39 Cb 1.08 -2.12 0.00 0.00 -1.62 0.00 0.00 43.42 40.77 2h3a n LEU 39 CO 0.55 0.50 0.00 -1.14 -1.22 0.00 0.00 177.39 176.08 2h3a n ARG 40 N -4.19 0.00 -3.76 3.23 0.63 -1.26 -5.06 116.66 106.25 2h3a n ARG 40 Ca -0.12 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.67 2h3a n ARG 40 Cb 0.59 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.35 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 -0.17 -0.07 5.13 0.00 -1.26 -5.12 121.76 120.27 2h3a s ALA 41 Ca 0.00 0.57 -0.04 0.00 0.00 0.00 0.00 51.96 52.49 2h3a s ALA 41 Cb 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.76 2h3a s ALA 41 CO 0.00 -0.14 0.16 -2.00 0.00 0.00 0.00 175.76 173.78 2h3a s GLU 42 N 1.11 0.12 -0.30 0.00 2.12 -1.26 -5.13 118.70 115.36 2h3a s GLU 42 Ca -0.09 0.35 -0.14 0.00 0.36 0.00 0.00 54.97 55.45 2h3a s GLU 42 Cb -0.12 -0.12 0.17 0.00 0.26 0.00 0.00 34.13 34.33 2h3a s GLU 42 CO -0.05 -0.13 1.04 -0.98 -0.54 0.00 0.00 175.26 174.59 2h3a s ARG 43 N 0.95 0.23 -0.12 4.30 1.70 -1.26 -5.17 118.95 119.59 2h3a s ARG 43 Ca -0.07 0.50 -0.05 0.00 -0.47 0.00 0.00 55.73 55.64 2h3a s ARG 43 Cb -0.09 0.29 0.05 0.00 -0.57 0.00 0.00 34.95 34.63 2h3a s ARG 43 CO -0.05 -0.15 0.25 1.67 -1.08 0.00 0.00 175.30 175.94 2h3a s TRP 44 N 2.62 -0.37 -0.29 5.89 1.48 -1.26 -5.14 118.94 121.87 2h3a s TRP 44 Ca -0.01 0.87 -0.16 0.00 -1.06 0.00 0.00 56.10 55.74 2h3a s TRP 44 Cb -0.07 0.01 0.17 0.00 -1.16 0.00 0.00 33.47 32.41 2h3a s TRP 44 CO -0.15 -0.29 1.06 -1.59 -4.06 0.00 0.00 176.95 171.93 2h3a s LYS 45 N 1.78 0.26 0.07 3.25 -2.85 -1.26 -5.16 119.74 115.83 2h3a s LYS 45 Ca -0.05 0.50 0.00 0.00 -1.00 0.00 0.00 55.97 55.43 2h3a s LYS 45 Cb -0.11 0.13 0.00 0.00 -2.06 0.00 0.00 37.83 35.79 2h3a s LYS 45 CO -0.08 -0.06 0.00 0.28 0.10 0.00 0.00 175.35 175.58 2h3a n VAL 46 N 3.87 -0.34 -4.08 1.79 0.31 -1.26 -5.11 118.33 113.52 2h3a n VAL 46 Ca -0.16 0.17 -0.10 0.00 -0.01 0.00 0.00 64.34 64.24 2h3a n VAL 46 Cb 0.56 -0.29 -0.04 0.00 -0.91 0.00 0.00 33.84 33.17 2h3a n VAL 46 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2h3a n GLU 47 N -1.66 0.29 -3.72 5.55 0.00 -1.26 -5.06 120.64 114.77 2h3a n GLU 47 Ca -0.00 -1.84 -0.13 0.00 0.00 0.00 0.00 57.16 55.18 2h3a n GLU 47 Cb 0.06 1.58 -0.10 0.00 0.00 0.00 0.00 31.44 32.98 2h3a n GLU 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2h3a s ASN 48 N -2.32 -0.47 0.44 -1.84 4.22 -1.26 -5.14 114.94 108.57 2h3a s ASN 48 Ca 0.21 0.90 0.02 0.00 -2.14 0.00 0.00 52.86 51.85 2h3a s ASN 48 Cb 0.01 0.91 0.06 0.00 1.28 0.00 0.00 41.25 43.50 2h3a s ASN 48 CO 0.15 -0.16 0.42 0.00 -2.04 0.00 0.00 177.10 175.47 2h3a n GLN 49 N 2.81 0.48 0.00 3.55 10.64 -1.26 -4.90 117.38 128.70 2h3a n GLN 49 Ca -0.13 -1.29 0.00 0.00 -1.83 0.00 0.00 57.00 53.74 2h3a n GLN 49 Cb 0.57 -0.23 0.00 0.00 -0.86 0.00 0.00 30.24 29.72 2h3a n GLN 49 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 2h3a n GLU 50 N -1.74 0.00 0.00 2.61 -0.00 -1.26 -5.06 120.64 115.19 2h3a n GLU 50 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.23 2h3a n GLU 50 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.71 2h3a n GLU 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2h3a n GLY 51 N -0.09 1.98 2.19 -1.84 0.00 -1.26 -5.12 105.19 101.06 2h3a n GLY 51 Ca 0.00 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.46 1.11 -4.22 1.61 1.56 -1.26 -5.17 117.12 110.30 2h3a n MET 52 Ca 0.00 -2.24 -0.19 0.00 -0.27 0.00 0.00 57.70 55.00 2h3a n MET 52 Cb 0.00 0.75 -0.16 0.00 2.15 0.00 0.00 33.22 35.96 2h3a n MET 52 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 2h3a s VAL 53 N -2.22 0.56 0.04 1.12 -7.23 -1.26 -5.15 120.40 106.26 2h3a s VAL 53 Ca 0.03 -0.21 0.09 0.00 -1.81 0.00 0.00 61.98 60.09 2h3a s VAL 53 Cb 0.00 -0.53 -0.03 0.00 0.56 0.00 0.00 36.38 36.38 2h3a s VAL 53 CO 0.02 0.20 -0.26 -1.61 -0.31 0.00 0.00 175.10 173.15 2h3a s GLU 54 N 0.45 1.75 0.00 4.82 2.02 -1.26 -5.12 118.70 121.36 2h3a s GLU 54 Ca -0.06 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 53.84 2h3a s GLU 54 Cb -0.10 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.22 2h3a s GLU 54 CO 0.00 0.50 0.00 0.28 0.02 0.00 0.00 175.26 176.06 2h3a n VAL 55 N 1.79 0.00 -1.60 2.63 0.31 -1.26 -5.13 118.33 115.07 2h3a n VAL 55 Ca -0.17 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.15 2h3a n VAL 55 Cb 0.52 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.44 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 -3.01 -2.82 3.52 0.00 -1.26 -5.04 120.51 108.89 2h3a n ALA 56 Ca 0.00 0.42 -0.36 0.00 0.00 0.00 0.00 53.44 53.50 2h3a n ALA 56 Cb 0.00 -0.88 -0.07 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.21 3.46 -0.30 0.00 3.52 -1.26 -5.06 118.95 118.10 2h3a s ARG 57 Ca -0.04 -0.21 -0.17 0.00 -0.13 0.00 0.00 55.73 55.18 2h3a s ARG 57 Cb 0.00 -3.13 0.17 0.00 -1.56 0.00 0.00 34.95 30.43 2h3a s ARG 57 CO 0.12 0.69 1.20 0.12 -0.81 0.00 0.00 175.30 176.61 2h3a s PHE 58 N -0.78 -0.14 -0.28 5.12 2.19 -1.26 -5.14 117.98 117.69 2h3a s PHE 58 Ca 0.13 0.12 -0.01 0.00 0.33 0.00 0.00 56.93 57.51 2h3a s PHE 58 Cb -0.12 0.04 0.09 0.00 -1.31 0.00 0.00 43.02 41.72 2h3a s PHE 58 CO 0.03 -0.08 0.07 0.42 1.83 0.00 0.00 175.22 177.49 2h3a s ILE 59 N 2.99 0.91 -0.04 3.12 -1.09 -1.26 -5.10 121.20 120.73 2h3a s ILE 59 Ca 0.04 -1.26 -0.02 0.00 -2.23 0.00 0.00 60.65 57.19 2h3a s ILE 59 Cb -0.06 -1.59 0.03 0.00 -1.58 0.00 0.00 42.46 39.26 2h3a s ILE 59 CO -0.12 -0.53 0.05 -0.70 -1.23 0.00 0.00 174.94 172.40 2h3a s GLU 60 N 1.62 -0.02 0.11 2.79 2.12 -1.26 -5.15 118.70 118.91 2h3a s GLU 60 Ca 0.06 0.32 0.04 0.00 0.36 0.00 0.00 54.97 55.75 2h3a s GLU 60 Cb -0.17 -0.49 -0.04 0.00 0.26 0.00 0.00 34.13 33.69 2h3a s GLU 60 CO -0.20 -0.29 -0.10 0.00 -0.54 0.00 0.00 175.26 174.13 2h3a s MET 61 N 1.92 0.91 0.54 4.30 0.23 -1.26 -5.17 119.30 120.77 2h3a s MET 61 Ca 0.02 -1.25 0.09 0.00 -1.03 0.00 0.00 55.69 53.52 2h3a s MET 61 Cb -0.12 -0.57 0.06 0.00 -1.53 0.00 0.00 34.83 32.67 2h3a s MET 61 CO -0.03 0.08 0.67 1.21 -2.03 0.00 0.00 175.02 174.92 2h3a s ASN 62 N -2.65 5.07 0.00 -1.18 3.84 -1.26 -5.14 114.94 113.61 2h3a s ASN 62 Ca 0.09 -0.87 0.00 0.00 0.21 0.00 0.00 52.86 52.29 2h3a s ASN 62 Cb -0.01 0.16 0.00 0.00 -0.55 0.00 0.00 41.25 40.85 2h3a s ASN 62 CO 0.00 -1.19 0.00 0.61 -2.79 0.00 0.00 177.10 173.73 2h3a n GLY 63 N -2.06 1.63 3.82 1.21 0.00 -1.26 -5.16 105.19 103.37 2h3a n GLY 63 Ca 0.11 -1.74 -0.05 0.00 0.00 0.00 0.00 46.02 44.34 2h3a n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2h3a s SER 64 N -1.00 -0.09 0.01 1.61 1.04 -1.26 -5.19 113.70 108.82 2h3a s SER 64 Ca 0.00 -0.67 -0.12 0.00 0.48 0.00 0.00 55.95 55.63 2h3a s SER 64 Cb 0.00 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.73 2h3a s SER 64 CO 0.00 -1.14 0.26 0.12 0.98 0.00 0.00 173.24 173.46 2h3a s PHE 65 N -2.78 -0.09 0.06 5.02 5.36 -1.26 -5.17 117.98 119.12 2h3a s PHE 65 Ca 0.16 0.05 0.08 0.00 -0.96 0.00 0.00 56.93 56.26 2h3a s PHE 65 Cb -0.03 0.05 -0.03 0.00 -0.34 0.00 0.00 43.02 42.67 2h3a s PHE 65 CO 0.06 -0.40 -0.22 0.00 -1.46 0.00 0.00 175.22 173.20 2h3a s ALA 66 N -1.79 2.46 0.00 11.12 0.00 -1.26 -5.07 121.76 127.23 2h3a s ALA 66 Ca -0.11 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.59 2h3a s ALA 66 Cb -0.04 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.48 2h3a s ALA 66 CO 0.01 0.56 0.00 -0.40 0.00 0.00 0.00 175.76 175.93 2h3a n ASP 67 N 1.50 0.00 -3.31 0.00 5.68 -1.26 -5.08 116.55 114.09 2h3a n ASP 67 Ca -0.17 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.04 2h3a n ASP 67 Cb 0.52 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 2h3a n ASP 67 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2h3a n GLU 68 N -2.17 -1.43 -3.45 0.11 -0.58 -1.26 -5.03 120.64 106.83 2h3a n GLU 68 Ca 0.00 1.27 -0.23 0.00 -0.42 0.00 0.00 57.16 57.78 2h3a n GLU 68 Cb 0.00 -4.55 0.03 0.00 -0.57 0.00 0.00 31.44 26.35 2h3a n GLU 68 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2h3a s ASN 69 N -2.97 4.84 0.00 1.62 4.22 -1.26 -5.02 114.94 116.37 2h3a s ASN 69 Ca 0.01 -1.08 0.00 0.00 -2.14 0.00 0.00 52.86 49.65 2h3a s ASN 69 Cb -0.00 0.45 0.00 0.00 1.28 0.00 0.00 41.25 42.98 2h3a s ASN 69 CO 0.80 -1.28 0.00 1.17 -2.04 0.00 0.00 177.10 175.75 2h3a n LYS 70 N -2.05 0.00 0.00 3.55 0.00 -1.26 -5.06 118.16 113.33 2h3a n LYS 70 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.39 2h3a n LYS 70 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.66 2h3a n LYS 70 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2h3a n ASP 71 N -1.61 0.00 0.00 3.14 9.92 -1.26 -5.38 116.55 121.36 2h3a n ASP 71 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2h3a n ASP 71 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2h3a n ASP 71 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12