#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 0.18 -0.36 2.12 -0.14 -1.26 -5.12 119.74 115.17 2h3a s LYS 2 Ca 0.00 -0.27 -0.22 0.00 -1.36 0.00 0.00 55.97 54.12 2h3a s LYS 2 Cb 0.00 -1.23 0.01 0.00 -1.68 0.00 0.00 37.83 34.92 2h3a s LYS 2 CO 0.00 -0.90 0.72 -1.14 -0.76 0.00 0.00 175.35 173.27 2h3a s GLN 3 N 2.18 3.73 -0.77 1.68 0.74 -1.26 -5.00 119.66 120.96 2h3a s GLN 3 Ca 0.07 0.21 -0.26 0.00 0.05 0.00 0.00 55.36 55.43 2h3a s GLN 3 Cb -0.16 -3.81 0.03 0.00 1.10 0.00 0.00 33.01 30.17 2h3a s GLN 3 CO -0.27 -0.79 1.36 0.50 -0.55 0.00 0.00 175.29 175.54 2h3a s ARG 4 N 2.92 3.18 -0.30 1.67 3.52 -1.26 -4.94 118.95 123.74 2h3a s ARG 4 Ca 0.28 -0.28 -0.02 0.00 -0.13 0.00 0.00 55.73 55.59 2h3a s ARG 4 Cb -0.14 -4.36 0.05 0.00 -1.56 0.00 0.00 34.95 28.94 2h3a s ARG 4 CO 0.16 -2.23 0.00 0.96 -0.81 0.00 0.00 175.30 173.38 2h3a s ILE 5 N 6.01 2.99 -0.13 4.11 -0.00 -1.26 -5.08 121.20 127.85 2h3a s ILE 5 Ca 0.40 -1.39 -0.02 0.00 -0.00 0.00 0.00 60.65 59.63 2h3a s ILE 5 Cb -0.07 -2.73 -0.03 0.00 -0.00 0.00 0.00 42.46 39.63 2h3a s ILE 5 CO 0.12 -0.12 -0.04 0.28 -0.00 0.00 0.00 174.94 175.19 2h3a s THR 6 N 1.25 3.94 -0.53 8.37 -1.32 -1.26 -5.06 115.64 121.03 2h3a s THR 6 Ca -0.05 -0.36 -0.16 0.00 -1.21 0.00 0.00 61.69 59.91 2h3a s THR 6 Cb -0.20 -2.69 0.11 0.00 -1.51 0.00 0.00 72.50 68.21 2h3a s THR 6 CO -0.01 0.53 0.50 0.54 -2.21 0.00 0.00 174.62 173.97 2h3a s VAL 7 N -0.10 5.18 -0.86 5.08 0.11 -1.26 -4.98 120.40 123.56 2h3a s VAL 7 Ca 0.02 -1.35 -0.26 0.00 -2.93 0.00 0.00 61.98 57.47 2h3a s VAL 7 Cb -0.13 -4.31 -0.13 0.00 -1.53 0.00 0.00 36.38 30.28 2h3a s VAL 7 CO 0.02 -0.83 2.27 0.42 -3.33 0.00 0.00 175.10 173.65 2h3a s THR 8 N 1.72 3.11 0.00 5.04 -4.23 -1.26 -4.87 115.64 115.16 2h3a s THR 8 Ca 0.04 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 2h3a s THR 8 Cb -0.28 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.17 2h3a s THR 8 CO 0.04 -0.23 0.00 1.33 -0.54 0.00 0.00 174.62 175.22 2h3a n VAL 9 N 8.62 0.00 0.00 2.29 0.24 -1.26 -4.71 118.33 123.51 2h3a n VAL 9 Ca 0.45 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.75 2h3a n VAL 9 Cb 0.44 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 2h3a n VAL 9 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2h3a n ASP 10 N 0.00 0.00 0.00 -1.34 2.03 -1.26 -4.71 116.55 111.27 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 -1.20 -1.92 0.00 0.00 177.20 174.08 2h3a n SER 11 N 0.00 0.04 0.00 1.67 7.64 -1.26 -5.01 113.62 116.70 2h3a n SER 11 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2h3a n SER 11 Cb 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 -2.53 0.00 -2.41 6.43 8.00 -1.26 -4.91 116.55 119.86 2h3a n ASP 12 Ca 0.00 0.03 -0.03 0.00 0.71 0.00 0.00 54.79 55.50 2h3a n ASP 12 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2h3a n ASP 12 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2h3a n SER 13 N -0.04 -0.90 -0.00 -2.24 2.88 -1.26 -5.04 113.62 107.01 2h3a n SER 13 Ca 0.00 -1.52 -0.18 0.00 -1.33 0.00 0.00 58.87 55.84 2h3a n SER 13 Cb 0.00 0.78 -0.14 0.00 -0.75 0.00 0.00 64.21 64.10 2h3a n SER 13 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2h3a h TYR 14 N 0.90 0.31 -1.01 0.66 3.20 -1.98 -3.37 116.97 115.69 2h3a h TYR 14 Ca -0.46 -0.23 0.23 0.00 3.14 0.00 0.00 58.73 61.41 2h3a h TYR 14 Cb 1.19 -0.01 -0.12 0.00 1.54 0.00 0.00 36.73 39.33 2h3a h TYR 14 CO -0.06 1.20 0.60 1.96 -1.64 0.00 0.00 178.16 180.22 2h3a h GLN 15 N -0.63 0.60 0.30 1.82 1.08 -1.99 -2.41 115.11 113.88 2h3a h GLN 15 Ca -0.09 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 2h3a h GLN 15 Cb 1.38 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.65 2h3a h GLN 15 CO 0.08 0.40 -0.33 -0.07 -0.95 0.00 0.00 178.83 177.95 2h3a h LEU 16 N 0.62 -0.91 -0.64 1.46 3.38 -1.96 1.05 115.31 118.31 2h3a h LEU 16 Ca 0.63 0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.80 2h3a h LEU 16 Cb 1.16 0.31 -0.12 0.00 0.09 0.00 0.00 40.66 42.10 2h3a h LEU 16 CO -0.44 -0.46 -0.29 0.25 0.09 0.00 0.00 178.44 177.58 2h3a h LEU 17 N -0.67 -1.03 -0.12 1.67 7.12 -1.62 0.22 115.31 120.88 2h3a h LEU 17 Ca -0.01 0.23 -0.13 0.00 0.13 0.00 0.00 57.88 58.09 2h3a h LEU 17 Cb 0.62 0.55 -0.02 0.00 -0.53 0.00 0.00 40.66 41.28 2h3a h LEU 17 CO -0.08 -0.28 -0.62 0.07 -0.13 0.00 0.00 178.44 177.39 2h3a h LYS 18 N -0.11 0.00 0.00 1.25 2.10 -1.42 -2.93 116.57 115.46 2h3a h LYS 18 Ca 0.27 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.91 2h3a h LYS 18 Cb 0.55 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.87 2h3a h LYS 18 CO -0.71 0.62 -0.03 0.00 -2.00 0.00 0.00 179.45 177.33 2h3a h ALA 19 N 1.38 1.23 0.10 0.07 0.00 0.41 -2.07 119.26 120.38 2h3a h ALA 19 Ca -0.01 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 2h3a h ALA 19 Cb 1.43 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2h3a h ALA 19 CO 0.08 0.04 -1.58 0.10 0.00 0.00 0.00 179.25 177.89 2h3a h TYR 20 N 0.00 0.40 0.00 0.00 -0.00 -0.58 -3.48 116.97 113.31 2h3a h TYR 20 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 58.73 58.44 2h3a h TYR 20 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 36.85 2h3a h TYR 20 CO 0.00 1.62 0.00 -3.47 -0.00 0.00 0.00 178.16 176.31 2h3a n ASP 21 N -3.85 0.00 -3.28 0.10 2.03 -0.78 -5.13 116.55 105.64 2h3a n ASP 21 Ca -0.28 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 54.96 2h3a n ASP 21 Cb 0.92 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.27 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 -0.70 -0.12 5.18 1.01 -1.15 -4.98 120.40 119.63 2h3a s VAL 22 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 2h3a s VAL 22 Cb 0.00 -0.97 -0.07 0.00 0.00 0.00 0.00 36.38 35.34 2h3a s VAL 22 CO 0.00 -0.21 1.51 0.59 0.00 0.00 0.00 175.10 176.99 2h3a n ASN 23 N 5.37 1.90 0.00 3.32 3.02 -1.26 -2.62 115.26 124.98 2h3a n ASN 23 Ca 0.01 -1.89 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 2h3a n ASN 23 Cb 0.50 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 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 3.25 0.00 -0.37 2.41 -6.64 -1.26 -4.72 119.36 112.03 2h3a n ILE 24 Ca 0.16 0.00 -0.06 0.00 -1.77 0.00 0.00 62.75 61.08 2h3a n ILE 24 Cb 0.24 0.00 -0.04 0.00 -1.44 0.00 0.00 39.64 38.40 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 -0.81 0.06 7.28 3.41 -1.26 0.76 113.62 123.06 2h3a n SER 25 Ca 0.00 1.59 -0.06 0.00 -0.26 0.00 0.00 58.87 60.14 2h3a n SER 25 Cb 0.00 -0.27 -0.11 0.00 -0.26 0.00 0.00 64.21 63.57 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 0.97 5.00 0.00 -1.95 -3.29 103.07 103.80 2h3a h GLY 26 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 2h3a h GLY 26 CO -0.87 0.00 -0.29 -2.00 0.00 0.00 0.00 176.54 173.38 2h3a h LEU 27 N 0.00 -0.68 -0.09 3.11 7.12 -1.03 0.33 115.31 124.07 2h3a h LEU 27 Ca -0.03 0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.00 2h3a h LEU 27 Cb 1.75 0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 42.04 2h3a h LEU 27 CO 0.12 -0.46 -0.12 0.58 -0.13 0.00 0.00 178.44 178.44 2h3a h VAL 28 N -0.85 0.00 -0.89 1.05 2.07 0.21 1.41 116.25 119.26 2h3a h VAL 28 Ca -0.08 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.62 2h3a h VAL 28 Cb 0.63 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.30 2h3a h VAL 28 CO 0.14 0.00 0.45 0.77 0.02 0.00 0.00 177.57 178.94 2h3a h SER 29 N -0.08 0.49 0.51 0.57 4.64 -1.62 1.23 113.55 119.30 2h3a h SER 29 Ca 0.02 0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 2h3a h SER 29 Cb 0.12 0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2h3a h SER 29 CO -0.13 0.15 -0.25 0.74 -0.87 0.00 0.00 176.83 176.48 2h3a h THR 30 N 0.56 0.32 -0.90 2.95 2.02 0.74 -2.48 112.91 116.12 2h3a h THR 30 Ca 0.51 -0.44 0.14 0.00 0.77 0.00 0.00 66.41 67.40 2h3a h THR 30 Cb 0.84 0.46 -0.09 0.00 -1.74 0.00 0.00 68.15 67.61 2h3a h THR 30 CO -0.42 0.05 0.51 0.74 0.37 0.00 0.00 175.52 176.76 2h3a h THR 31 N -1.01 0.78 -0.58 3.16 2.02 0.24 -0.65 112.91 116.86 2h3a h THR 31 Ca -0.07 -0.25 0.12 0.00 0.77 0.00 0.00 66.41 66.98 2h3a h THR 31 Cb 0.61 -0.02 -0.11 0.00 -1.74 0.00 0.00 68.15 66.89 2h3a h THR 31 CO 0.12 0.13 -0.11 0.24 0.37 0.00 0.00 175.52 176.27 2h3a h MET 32 N 0.74 0.02 -0.52 6.66 2.86 0.17 1.06 114.93 125.93 2h3a h MET 32 Ca 0.48 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 58.16 2h3a h MET 32 Cb 0.63 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.24 2h3a h MET 32 CO -0.33 0.02 0.28 0.37 1.06 0.00 0.00 176.91 178.30 2h3a h GLN 33 N 0.02 0.53 0.13 1.72 4.15 -0.66 2.91 115.11 123.92 2h3a h GLN 33 Ca 0.29 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.67 2h3a h GLN 33 Cb 0.45 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.02 2h3a h GLN 33 CO -0.58 0.35 -0.06 -2.95 -1.93 0.00 0.00 178.83 173.66 2h3a h ASN 34 N 0.55 -0.15 0.26 -0.69 7.08 -0.84 0.15 115.58 121.94 2h3a h ASN 34 Ca 0.22 -0.22 -0.04 0.00 -3.08 0.00 0.00 56.30 53.18 2h3a h ASN 34 Cb 0.10 0.04 -0.01 0.00 -2.08 0.00 0.00 38.32 36.37 2h3a h ASN 34 CO -0.14 0.15 -0.19 -0.33 -2.08 0.00 0.00 177.43 174.84 2h3a h GLU 35 N -0.46 0.00 -0.12 4.14 4.39 0.14 0.23 114.58 122.91 2h3a h GLU 35 Ca -0.02 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 2h3a h GLU 35 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2h3a h GLU 35 CO 0.03 0.19 -0.26 0.00 -1.16 0.00 0.00 179.01 177.81 2h3a h ALA 36 N 1.81 0.19 0.23 3.43 0.00 0.55 0.80 119.26 126.28 2h3a h ALA 36 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2h3a h ALA 36 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2h3a h ALA 36 CO 0.02 0.18 -0.11 0.00 0.00 0.00 0.00 179.25 179.35 2h3a h ARG 37 N -0.03 -0.29 0.06 0.00 3.08 -0.37 -3.37 114.38 113.46 2h3a h ARG 37 Ca 0.00 0.02 -0.27 0.00 0.07 0.00 0.00 59.98 59.80 2h3a h ARG 37 Cb 0.85 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 2h3a h ARG 37 CO 0.06 0.03 -1.36 -0.09 -1.07 0.00 0.00 179.97 177.54 2h3a h ARG 38 N -0.96 0.14 -5.86 0.04 1.12 -0.68 -3.48 114.38 104.69 2h3a h ARG 38 Ca -0.03 -0.23 -0.36 0.00 -1.11 0.00 0.00 59.98 58.24 2h3a h ARG 38 Cb 0.46 0.09 -0.23 0.00 -0.01 0.00 0.00 29.97 30.28 2h3a h ARG 38 CO 0.05 0.99 -0.53 1.28 -3.11 0.00 0.00 179.97 178.66 2h3a n LEU 39 N -3.36 -0.48 0.00 3.80 4.77 0.28 -4.74 117.00 117.26 2h3a n LEU 39 Ca -0.11 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 2h3a n LEU 39 Cb 1.01 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2h3a n LEU 39 CO 0.49 0.06 0.00 -1.14 -1.33 0.00 0.00 177.39 175.47 2h3a n ARG 40 N -3.06 0.00 -4.16 3.23 3.00 -1.26 -5.06 116.66 109.35 2h3a n ARG 40 Ca 0.07 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.76 2h3a n ARG 40 Cb 0.39 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.73 2h3a n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2h3a s ALA 41 N 0.00 0.74 0.00 5.13 0.00 -1.26 -5.15 121.76 121.22 2h3a s ALA 41 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2h3a s ALA 41 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.07 2h3a s ALA 41 CO 0.00 0.08 0.00 0.39 0.00 0.00 0.00 175.76 176.23 2h3a n GLU 42 N 1.85 0.00 -1.19 0.00 1.02 -1.26 -5.16 120.64 115.89 2h3a n GLU 42 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 2h3a n GLU 42 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 2h3a n GLU 42 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2h3a n ARG 43 N 0.00 0.00 -2.19 3.49 1.85 -1.26 -5.12 116.66 113.43 2h3a n ARG 43 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.83 2h3a n ARG 43 Cb 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.39 2h3a n ARG 43 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 2h3a n TRP 44 N 0.00 -2.61 -3.74 2.89 8.01 -1.26 -5.10 117.44 115.63 2h3a n TRP 44 Ca 0.00 1.38 -0.13 0.00 -1.31 0.00 0.00 57.50 57.43 2h3a n TRP 44 Cb 0.00 -3.00 -0.09 0.00 -2.01 0.00 0.00 31.31 26.21 2h3a n TRP 44 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 2h3a s LYS 45 N -0.88 0.59 0.00 -0.99 -0.14 -1.26 -5.18 119.74 111.89 2h3a s LYS 45 Ca -0.10 0.12 0.00 0.00 -1.36 0.00 0.00 55.97 54.63 2h3a s LYS 45 Cb 0.01 0.27 0.00 0.00 -1.68 0.00 0.00 37.83 36.43 2h3a s LYS 45 CO 0.48 -0.14 0.00 1.55 -0.76 0.00 0.00 175.35 176.48 2h3a n VAL 46 N 1.91 0.00 -2.45 3.17 3.14 -1.26 -5.04 118.33 117.79 2h3a n VAL 46 Ca -0.18 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 60.83 2h3a n VAL 46 Cb 0.57 -1.43 -0.03 0.00 -1.06 0.00 0.00 33.84 31.88 2h3a n VAL 46 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2h3a s GLU 47 N 1.15 4.16 -0.10 1.45 8.01 -1.26 -5.02 118.70 127.09 2h3a s GLU 47 Ca 0.00 1.65 -0.33 0.00 0.01 0.00 0.00 54.97 56.30 2h3a s GLU 47 Cb 0.00 -2.64 0.15 0.00 -4.31 0.00 0.00 34.13 27.33 2h3a s GLU 47 CO 0.00 -0.17 1.44 1.21 0.01 0.00 0.00 175.26 177.75 2h3a s ASN 48 N -1.36 -0.00 0.43 -0.19 2.47 -1.26 -5.19 114.94 109.84 2h3a s ASN 48 Ca 0.56 -0.01 0.07 0.00 0.42 0.00 0.00 52.86 53.91 2h3a s ASN 48 Cb -0.26 0.01 -0.04 0.00 -1.45 0.00 0.00 41.25 39.51 2h3a s ASN 48 CO 0.32 -0.01 0.19 0.00 -3.72 0.00 0.00 177.10 173.88 2h3a s GLN 49 N -2.02 2.22 0.86 0.43 -2.07 -1.26 -5.14 119.66 112.68 2h3a s GLN 49 Ca 0.15 -1.90 -0.12 0.00 -1.82 0.00 0.00 55.36 51.67 2h3a s GLN 49 Cb 0.08 -1.96 0.11 0.00 -1.09 0.00 0.00 33.01 30.14 2h3a s GLN 49 CO -0.07 -0.18 1.15 -1.83 -1.32 0.00 0.00 175.29 173.05 2h3a s GLU 50 N -3.93 1.59 0.00 9.60 1.03 -1.26 -5.05 118.70 120.67 2h3a s GLU 50 Ca 0.38 0.24 0.00 0.00 0.03 0.00 0.00 54.97 55.63 2h3a s GLU 50 Cb 0.03 -1.89 0.00 0.00 -0.80 0.00 0.00 34.13 31.47 2h3a s GLU 50 CO 0.21 -1.88 0.00 0.41 -1.33 0.00 0.00 175.26 172.67 2h3a n GLY 51 N -2.68 1.12 3.95 -3.83 0.00 -1.26 -5.18 105.19 97.31 2h3a n GLY 51 Ca 0.07 0.19 -0.19 0.00 0.00 0.00 0.00 46.02 46.09 2h3a n GLY 51 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2h3a s MET 52 N 0.00 2.75 -0.02 1.61 -1.94 -1.26 -5.14 119.30 115.31 2h3a s MET 52 Ca 0.00 -1.32 0.04 0.00 -1.71 0.00 0.00 55.69 52.70 2h3a s MET 52 Cb 0.00 -2.61 -0.01 0.00 2.01 0.00 0.00 34.83 34.22 2h3a s MET 52 CO 0.00 -0.17 -0.13 0.08 -0.01 0.00 0.00 175.02 174.78 2h3a s VAL 53 N -2.37 1.06 0.08 -6.03 1.01 -1.26 -5.12 120.40 107.77 2h3a s VAL 53 Ca 0.50 -0.55 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 2h3a s VAL 53 Cb -0.07 -0.89 -0.07 0.00 0.00 0.00 0.00 36.38 35.34 2h3a s VAL 53 CO 0.30 0.30 1.35 -0.70 0.00 0.00 0.00 175.10 176.36 2h3a s GLU 54 N -0.18 4.34 0.00 2.72 2.12 -1.26 -4.93 118.70 121.51 2h3a s GLU 54 Ca 0.03 1.99 0.00 0.00 0.36 0.00 0.00 54.97 57.35 2h3a s GLU 54 Cb -0.07 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 31.00 2h3a s GLU 54 CO -0.00 -0.42 0.00 0.28 -0.54 0.00 0.00 175.26 174.58 2h3a n VAL 55 N 4.06 0.00 0.00 3.70 0.31 -1.26 -5.17 118.33 119.97 2h3a n VAL 55 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 2h3a n VAL 55 Cb 0.43 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 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 -0.79 3.52 0.00 -1.26 -5.18 120.51 113.80 2h3a n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2h3a n ALA 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2h3a n ALA 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2h3a n ARG 57 N 0.00 -2.25 -2.69 0.00 3.00 -1.26 -4.90 116.66 108.56 2h3a n ARG 57 Ca 0.00 1.68 -0.04 0.00 -0.00 0.00 0.00 57.85 59.50 2h3a n ARG 57 Cb 0.00 -1.92 0.04 0.00 0.00 0.00 0.00 32.46 30.58 2h3a n ARG 57 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2h3a n PHE 58 N -1.08 -1.22 -3.45 -0.14 -0.00 -1.26 -5.08 117.46 105.23 2h3a n PHE 58 Ca 0.00 -0.80 -0.16 0.00 -0.00 0.00 0.00 57.45 56.49 2h3a n PHE 58 Cb 0.03 1.16 -0.12 0.00 -0.00 0.00 0.00 39.48 40.56 2h3a n PHE 58 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 2h3a s ILE 59 N 0.84 -0.39 0.07 -2.13 -1.09 -1.26 -5.03 121.20 112.21 2h3a s ILE 59 Ca 0.25 -0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 2h3a s ILE 59 Cb 0.12 -0.73 0.00 0.00 -1.58 0.00 0.00 42.46 40.27 2h3a s ILE 59 CO -0.10 -0.21 0.00 -0.62 -1.23 0.00 0.00 174.94 172.78 2h3a n GLU 60 N 5.33 0.00 -0.58 2.79 -0.58 -1.26 -5.17 120.64 121.17 2h3a n GLU 60 Ca -0.05 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.77 2h3a n GLU 60 Cb 0.49 -0.04 -0.02 0.00 -0.57 0.00 0.00 31.44 31.31 2h3a n GLU 60 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 2h3a n MET 61 N -2.77 -1.16 -3.93 3.49 1.56 -1.26 -5.03 117.12 108.01 2h3a n MET 61 Ca 0.00 0.77 -0.10 0.00 -0.27 0.00 0.00 57.70 58.10 2h3a n MET 61 Cb 0.00 -1.42 -0.06 0.00 2.15 0.00 0.00 33.22 33.89 2h3a n MET 61 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2h3a s ASN 62 N -4.74 -0.03 -0.01 6.12 2.20 -1.26 -5.19 114.94 112.04 2h3a s ASN 62 Ca 0.00 -0.82 -0.17 0.00 -0.94 0.00 0.00 52.86 50.93 2h3a s ASN 62 Cb 0.00 0.48 0.03 0.00 -2.00 0.00 0.00 41.25 39.76 2h3a s ASN 62 CO 0.00 -0.96 0.36 -0.83 -2.94 0.00 0.00 177.10 172.73 2h3a s GLY 63 N -2.96 -0.21 0.00 0.45 0.00 -1.26 -5.08 107.32 98.26 2h3a s GLY 63 Ca 0.17 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.30 2h3a s GLY 63 CO 0.01 0.18 0.00 1.44 0.00 0.00 0.00 173.10 174.73 2h3a n SER 64 N 1.10 0.00 -0.87 1.64 7.64 -1.26 -5.18 113.62 116.69 2h3a n SER 64 Ca -0.21 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.78 2h3a n SER 64 Cb 0.57 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.72 2h3a n SER 64 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2h3a n PHE 65 N 0.00 -2.31 -3.28 1.43 7.35 -1.26 -4.94 117.46 114.45 2h3a n PHE 65 Ca 0.00 1.25 -0.20 0.00 -0.76 0.00 0.00 57.45 57.74 2h3a n PHE 65 Cb 0.00 -2.10 -0.08 0.00 0.35 0.00 0.00 39.48 37.66 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 -3.38 0.09 -0.33 3.13 0.00 -1.26 -5.12 121.76 114.89 2h3a s ALA 66 Ca 0.00 -1.51 -0.25 0.00 0.00 0.00 0.00 51.96 50.20 2h3a s ALA 66 Cb 0.00 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.17 2h3a s ALA 66 CO 0.00 -2.10 0.85 0.16 0.00 0.00 0.00 175.76 174.67 2h3a s ASP 67 N 0.80 6.68 -0.11 0.00 -4.77 -1.26 -5.03 116.67 112.98 2h3a s ASP 67 Ca 0.25 0.63 -0.00 0.00 -3.30 0.00 0.00 52.55 50.12 2h3a s ASP 67 Cb -0.07 -2.43 0.03 0.00 -1.09 0.00 0.00 42.92 39.35 2h3a s ASP 67 CO -0.09 -0.72 -0.07 -0.70 0.70 0.00 0.00 175.17 174.29 2h3a s GLU 68 N 3.17 1.47 -0.20 2.11 2.56 -1.26 -5.12 118.70 121.43 2h3a s GLU 68 Ca 0.35 -0.25 -0.36 0.00 0.00 0.00 0.00 54.97 54.71 2h3a s GLU 68 Cb -0.13 -1.58 0.15 0.00 2.00 0.00 0.00 34.13 34.57 2h3a s GLU 68 CO 0.15 -0.28 1.37 0.54 -0.56 0.00 0.00 175.26 176.48 2h3a s ASN 69 N 1.72 -0.03 0.00 -1.70 2.20 -1.26 -5.06 114.94 110.81 2h3a s ASN 69 Ca 0.05 -0.01 0.00 0.00 -0.94 0.00 0.00 52.86 51.95 2h3a s ASN 69 Cb -0.13 0.04 0.00 0.00 -2.00 0.00 0.00 41.25 39.16 2h3a s ASN 69 CO -0.08 -0.07 0.00 2.29 -2.94 0.00 0.00 177.10 176.30 2h3a n LYS 70 N -0.19 0.00 0.00 3.55 2.85 -1.26 -5.03 118.16 118.08 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 0.59 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.97 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 -0.56 -5.58 2.03 -1.26 -5.40 116.55 105.78 2h3a n ASP 71 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 2h3a n ASP 71 Cb 0.00 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 2h3a n ASP 71 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15