#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3a s ARG 2 N 0.00 2.75 -0.24 3.17 3.52 -0.31 -5.00 118.95 122.84 1j3a s ARG 2 Ca 0.00 -0.76 -0.08 0.00 -0.13 0.00 0.00 55.73 54.76 1j3a s ARG 2 Cb 0.00 -2.24 -0.04 0.00 -1.56 0.00 0.00 34.95 31.11 1j3a s ARG 2 CO 0.00 -0.02 0.10 0.42 -0.81 0.00 0.00 175.30 174.99 1j3a s ILE 3 N 0.84 4.68 -0.15 4.11 1.01 -1.26 -1.42 121.20 129.00 1j3a s ILE 3 Ca -0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 1j3a s ILE 3 Cb -0.15 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 1j3a s ILE 3 CO -0.01 0.34 -0.06 -0.63 0.00 0.00 0.00 174.94 174.58 1j3a s ILE 4 N 1.39 3.71 -0.39 2.92 1.01 0.29 -0.42 121.20 129.71 1j3a s ILE 4 Ca 0.06 -0.42 -0.22 0.00 0.00 0.00 0.00 60.65 60.06 1j3a s ILE 4 Cb -0.15 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.72 1j3a s ILE 4 CO 0.05 0.50 0.73 0.21 0.00 0.00 0.00 174.94 176.43 1j3a s ASN 5 N 0.35 6.46 0.00 3.58 3.84 0.24 -1.24 114.94 128.18 1j3a s ASN 5 Ca -0.06 0.10 0.26 0.00 0.21 0.00 0.00 52.86 53.38 1j3a s ASN 5 Cb -0.15 -2.37 1.43 0.00 -0.55 0.00 0.00 41.25 39.61 1j3a s ASN 5 CO 0.04 -0.76 1.91 0.00 -2.79 0.00 0.00 177.10 175.50 1j3a n ALA 6 N 6.40 2.38 -1.64 1.71 0.00 -0.56 -4.75 120.51 124.06 1j3a n ALA 6 Ca 0.01 -0.14 -0.51 0.00 0.00 0.00 0.00 53.44 52.80 1j3a n ALA 6 Cb 0.48 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.45 1j3a n ALA 6 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1j3a n ASP 7 N -1.18 2.91 0.00 0.00 -0.08 -1.26 -1.35 116.55 115.59 1j3a n ASP 7 Ca 0.15 0.85 0.00 0.00 -1.51 0.00 0.00 54.79 54.29 1j3a n ASP 7 Cb 0.17 -1.30 0.00 0.00 2.34 0.00 0.00 41.12 42.33 1j3a n ASP 7 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j3a n GLY 8 N 4.85 0.52 3.81 0.27 0.00 -0.91 -4.96 105.19 108.77 1j3a n GLY 8 Ca 0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 1j3a n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j3a s LEU 9 N 0.00 4.40 -0.05 0.99 1.43 -0.46 -1.71 118.68 123.27 1j3a s LEU 9 Ca 0.00 0.80 -0.30 0.00 -1.03 0.00 0.00 54.13 53.60 1j3a s LEU 9 Cb 0.00 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 1j3a s LEU 9 CO 0.00 0.26 1.56 -0.63 0.23 0.00 0.00 176.35 177.77 1j3a s ILE 10 N -0.58 3.66 0.21 -0.59 1.01 0.62 -0.82 121.20 124.70 1j3a s ILE 10 Ca 0.22 0.86 -0.15 0.00 0.00 0.00 0.00 60.65 61.58 1j3a s ILE 10 Cb -0.15 -3.56 0.21 0.00 0.01 0.00 0.00 42.46 38.98 1j3a s ILE 10 CO 0.10 -0.06 1.62 0.25 0.00 0.00 0.00 174.94 176.85 1j3a h LEU 11 N 9.77 -0.71 -0.83 2.97 5.85 -0.96 -0.24 115.31 131.17 1j3a h LEU 11 Ca -0.37 0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1j3a h LEU 11 Cb 1.17 0.43 -0.04 0.00 0.37 0.00 0.00 40.66 42.59 1j3a h LEU 11 CO 0.95 -0.23 0.55 1.23 -0.34 0.00 0.00 178.44 180.59 1j3a h GLY 12 N -0.04 1.17 1.10 3.75 0.00 -1.91 0.27 103.07 107.40 1j3a h GLY 12 Ca 0.29 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 47.02 1j3a h GLY 12 CO -0.65 0.41 -0.47 3.21 0.00 0.00 0.00 176.54 179.04 1j3a h ARG 13 N 1.11 0.85 -0.32 4.80 3.08 -1.77 -1.84 114.38 120.29 1j3a h ARG 13 Ca 0.31 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1j3a h ARG 13 Cb -0.11 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1j3a h ARG 13 CO -0.07 1.15 0.20 1.25 -1.07 0.00 0.00 179.97 181.43 1j3a h LEU 14 N 0.64 0.38 -0.68 3.04 5.85 -0.76 -2.26 115.31 121.51 1j3a h LEU 14 Ca 0.03 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1j3a h LEU 14 Cb 1.07 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1j3a h LEU 14 CO 0.11 0.29 0.30 0.00 -0.34 0.00 0.00 178.44 178.80 1j3a h ALA 15 N 1.10 0.88 -0.44 1.25 0.00 -0.88 -0.91 119.26 120.25 1j3a h ALA 15 Ca 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1j3a h ALA 15 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1j3a h ALA 15 CO -0.02 0.47 0.16 0.66 0.00 0.00 0.00 179.25 180.52 1j3a h SER 16 N 0.95 0.63 -0.46 0.00 4.64 -1.15 -1.01 113.55 117.14 1j3a h SER 16 Ca 0.23 -0.18 -0.14 0.00 -0.47 0.00 0.00 61.79 61.23 1j3a h SER 16 Cb 0.16 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1j3a h SER 16 CO -0.02 0.64 -0.26 0.03 -0.87 0.00 0.00 176.83 176.34 1j3a h ARG 17 N 0.58 0.99 -0.32 4.77 2.47 -1.27 -2.93 114.38 118.67 1j3a h ARG 17 Ca 0.15 -0.45 -0.11 0.00 -1.26 0.00 0.00 59.98 58.30 1j3a h ARG 17 Cb 0.22 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 1j3a h ARG 17 CO -0.01 1.12 -0.27 0.28 0.56 0.00 0.00 179.97 181.66 1j3a h VAL 18 N 0.84 1.27 -0.82 2.04 2.07 -1.07 -2.40 116.25 118.18 1j3a h VAL 18 Ca 0.10 -1.36 0.03 0.00 0.82 0.00 0.00 66.70 66.28 1j3a h VAL 18 Cb 0.85 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 1j3a h VAL 18 CO 0.07 0.44 0.53 0.00 0.02 0.00 0.00 177.57 178.64 1j3a h ALA 19 N 1.14 1.07 -0.67 1.67 0.00 -1.10 -0.18 119.26 121.18 1j3a h ALA 19 Ca 0.08 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1j3a h ALA 19 Cb 0.75 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1j3a h ALA 19 CO 0.06 0.38 0.18 -0.22 0.00 0.00 0.00 179.25 179.65 1j3a h LYS 20 N 1.05 1.06 -0.59 0.00 3.64 -1.32 -1.68 116.57 118.73 1j3a h LYS 20 Ca 0.32 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1j3a h LYS 20 Cb -0.03 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 1j3a h LYS 20 CO -0.10 0.94 0.29 0.52 -2.27 0.00 0.00 179.45 178.83 1j3a h MET 21 N 0.99 0.84 -0.65 1.90 2.86 -0.84 -1.96 114.93 118.06 1j3a h MET 21 Ca 0.21 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1j3a h MET 21 Cb 0.34 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1j3a h MET 21 CO -0.00 0.67 0.24 -0.07 1.06 0.00 0.00 176.91 178.81 1j3a h LEU 22 N 0.80 0.92 -1.55 1.22 3.38 -0.78 -1.96 115.31 117.34 1j3a h LEU 22 Ca 0.20 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1j3a h LEU 22 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1j3a h LEU 22 CO -0.03 0.86 -0.23 -0.07 0.09 0.00 0.00 178.44 179.07 1j3a h LEU 23 N 0.93 0.00 -0.75 1.67 3.38 -1.07 -1.96 115.31 117.52 1j3a h LEU 23 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1j3a h LEU 23 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1j3a h LEU 23 CO -0.01 0.23 0.00 -0.62 0.09 0.00 0.00 178.44 178.13 1j3a n GLU 24 N -3.83 1.48 -0.33 1.13 1.02 -0.76 -4.90 120.64 114.45 1j3a n GLU 24 Ca -0.02 -0.73 0.00 0.00 -0.02 0.00 0.00 57.16 56.39 1j3a n GLU 24 Cb 0.32 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 1j3a n GLU 24 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j3a n GLY 25 N 0.90 0.76 3.81 0.62 0.00 -0.73 -5.07 105.19 105.48 1j3a n GLY 25 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1j3a n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3a s GLU 26 N -0.67 4.30 -0.21 1.61 2.02 -0.78 -5.02 118.70 119.95 1j3a s GLU 26 Ca 0.00 0.99 -0.16 0.00 0.02 0.00 0.00 54.97 55.82 1j3a s GLU 26 Cb 0.00 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 1j3a s GLU 26 CO 0.00 0.29 0.42 -1.21 0.02 0.00 0.00 175.26 174.78 1j3a s GLU 27 N -2.26 4.16 -0.07 1.61 2.02 -1.26 -4.35 118.70 118.54 1j3a s GLU 27 Ca 0.48 0.23 0.04 0.00 0.02 0.00 0.00 54.97 55.74 1j3a s GLU 27 Cb -0.15 -3.56 -0.00 0.00 0.10 0.00 0.00 34.13 30.52 1j3a s GLU 27 CO 0.20 -0.09 -0.21 0.08 0.02 0.00 0.00 175.26 175.26 1j3a s VAL 28 N 1.47 1.81 -0.13 2.63 1.01 -0.64 -1.16 120.40 125.39 1j3a s VAL 28 Ca 0.20 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1j3a s VAL 28 Cb -0.15 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 1j3a s VAL 28 CO 0.08 0.51 -0.17 -0.69 0.00 0.00 0.00 175.10 174.83 1j3a s VAL 29 N 0.20 2.62 -0.18 2.92 1.01 -0.51 -1.57 120.40 124.89 1j3a s VAL 29 Ca -0.12 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 1j3a s VAL 29 Cb -0.15 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 1j3a s VAL 29 CO 0.06 0.53 -0.05 -0.63 0.00 0.00 0.00 175.10 175.01 1j3a s ILE 30 N 0.47 3.55 0.34 2.22 1.01 0.31 -0.54 121.20 128.56 1j3a s ILE 30 Ca -0.12 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.15 1j3a s ILE 30 Cb -0.16 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 1j3a s ILE 30 CO 0.05 0.46 0.10 0.68 0.00 0.00 0.00 174.94 176.24 1j3a s VAL 31 N 0.84 2.87 -1.45 2.92 -7.23 -0.37 -0.52 120.40 117.47 1j3a s VAL 31 Ca -0.01 -1.78 -0.09 0.00 -1.81 0.00 0.00 61.98 58.28 1j3a s VAL 31 Cb -0.15 -2.92 0.03 0.00 0.56 0.00 0.00 36.38 33.91 1j3a s VAL 31 CO 0.01 -0.18 0.93 0.59 -0.31 0.00 0.00 175.10 176.15 1j3a n ASN 32 N -1.09 -5.70 -0.09 4.85 3.02 0.27 -1.49 115.26 115.02 1j3a n ASN 32 Ca -0.03 -0.53 0.13 0.00 -0.03 0.00 0.00 54.58 54.12 1j3a n ASN 32 Cb 0.62 -4.54 0.52 0.00 -0.61 0.00 0.00 39.78 35.76 1j3a n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j3a h ALA 33 N 1.00 2.07 0.00 5.41 0.00 -1.57 -0.30 119.26 125.88 1j3a h ALA 33 Ca -0.55 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1j3a h ALA 33 Cb 1.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1j3a h ALA 33 CO 0.59 -0.22 0.00 -0.85 0.00 0.00 0.00 179.25 178.77 1j3a n GLU 34 N -4.47 0.11 0.00 0.00 0.00 -1.26 -2.53 120.64 112.50 1j3a n GLU 34 Ca 0.11 0.33 0.12 0.00 0.00 0.00 0.00 57.16 57.72 1j3a n GLU 34 Cb 0.42 -1.71 0.19 0.00 0.00 0.00 0.00 31.44 30.34 1j3a n GLU 34 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1j3a n LYS 35 N -1.91 2.04 -1.19 3.44 5.02 -0.12 -1.51 118.16 123.91 1j3a n LYS 35 Ca 0.03 -1.59 -0.31 0.00 -2.02 0.00 0.00 58.31 54.42 1j3a n LYS 35 Cb 0.22 -1.47 0.10 0.00 -0.02 0.00 0.00 35.03 33.87 1j3a n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j3a s ALA 36 N -2.06 2.10 0.20 7.82 0.00 -1.05 -2.13 121.76 126.63 1j3a s ALA 36 Ca 0.29 0.27 0.09 0.00 0.00 0.00 0.00 51.96 52.61 1j3a s ALA 36 Cb 0.20 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 1j3a s ALA 36 CO 0.34 -1.94 -0.18 0.14 0.00 0.00 0.00 175.76 174.12 1j3a s VAL 37 N -2.88 1.97 -0.14 0.00 -7.23 0.00 -1.10 120.40 111.03 1j3a s VAL 37 Ca 0.62 -2.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 1j3a s VAL 37 Cb -0.18 -1.99 0.02 0.00 0.56 0.00 0.00 36.38 34.79 1j3a s VAL 37 CO 0.56 -0.36 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.19 1j3a s ILE 38 N -2.27 1.72 0.34 -0.62 1.01 -0.15 -0.24 121.20 120.99 1j3a s ILE 38 Ca 0.20 -0.75 -0.20 0.00 0.00 0.00 0.00 60.65 59.90 1j3a s ILE 38 Cb -0.05 -1.57 -0.10 0.00 0.01 0.00 0.00 42.46 40.75 1j3a s ILE 38 CO 0.08 0.48 0.85 0.42 0.00 0.00 0.00 174.94 176.78 1j3a s THR 39 N 1.17 4.46 -2.80 2.92 -4.23 -1.26 -1.73 115.64 114.18 1j3a s THR 39 Ca -0.01 1.38 0.00 0.00 -1.18 0.00 0.00 61.69 61.88 1j3a s THR 39 Cb -0.14 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 69.97 1j3a s THR 39 CO -0.06 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 1j3a n GLY 40 N -0.08 0.77 3.72 3.99 0.00 0.21 -4.95 105.19 108.86 1j3a n GLY 40 Ca 0.03 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 1j3a n GLY 40 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j3a s ASN 41 N -2.44 7.32 0.17 1.61 2.47 -1.26 -3.92 114.94 118.89 1j3a s ASN 41 Ca 0.00 1.82 -0.22 0.00 0.42 0.00 0.00 52.86 54.88 1j3a s ASN 41 Cb 0.00 -2.58 0.07 0.00 -1.45 0.00 0.00 41.25 37.29 1j3a s ASN 41 CO 0.00 -0.26 1.60 -0.09 -3.72 0.00 0.00 177.10 174.63 1j3a h ARG 42 N 6.32 -0.22 -0.64 0.43 2.43 -1.95 -0.51 114.38 120.24 1j3a h ARG 42 Ca -0.42 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.74 1j3a h ARG 42 Cb 1.22 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 1j3a h ARG 42 CO 0.75 -0.15 0.31 0.93 -1.51 0.00 0.00 179.97 180.30 1j3a h GLU 43 N -0.23 0.90 -0.29 0.20 3.07 -1.99 -0.86 114.58 115.38 1j3a h GLU 43 Ca 0.18 -0.12 -0.06 0.00 -0.50 0.00 0.00 59.36 58.87 1j3a h GLU 43 Cb 0.52 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1j3a h GLU 43 CO -0.54 0.70 -0.05 0.28 -1.40 0.00 0.00 179.01 178.00 1j3a h VAL 44 N 0.90 1.28 -0.31 3.13 2.07 -1.76 -1.59 116.25 119.96 1j3a h VAL 44 Ca 0.22 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1j3a h VAL 44 Cb 0.09 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1j3a h VAL 44 CO -0.03 0.34 0.13 0.40 0.02 0.00 0.00 177.57 178.43 1j3a h ILE 45 N 0.31 1.17 -0.48 4.57 2.04 -0.83 -0.58 117.51 123.70 1j3a h ILE 45 Ca 0.08 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.43 1j3a h ILE 45 Cb 0.52 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1j3a h ILE 45 CO 0.02 0.18 0.30 -0.26 0.00 0.00 0.00 178.15 178.39 1j3a h PHE 46 N 0.35 0.55 -0.20 1.37 0.04 -1.13 -1.94 116.94 116.00 1j3a h PHE 46 Ca 0.10 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 1j3a h PHE 46 Cb 0.17 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 1j3a h PHE 46 CO -0.01 0.33 0.12 0.77 -0.60 0.00 0.00 178.31 178.91 1j3a h SER 47 N 0.59 0.24 -0.65 2.17 0.02 -1.10 0.11 113.55 114.94 1j3a h SER 47 Ca 0.19 -0.06 0.08 0.00 -0.84 0.00 0.00 61.79 61.16 1j3a h SER 47 Cb -0.00 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 62.41 1j3a h SER 47 CO -0.08 0.23 0.31 0.50 -1.14 0.00 0.00 176.83 176.65 1j3a h LYS 48 N 0.23 0.53 0.00 3.45 3.64 -0.81 -0.82 116.57 122.80 1j3a h LYS 48 Ca 0.07 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.31 1j3a h LYS 48 Cb 0.04 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1j3a h LYS 48 CO -0.01 0.35 -0.53 1.88 -2.27 0.00 0.00 179.45 178.86 1j3a h TYR 49 N 0.55 0.00 -0.59 1.91 0.05 -1.19 -2.92 116.97 114.78 1j3a h TYR 49 Ca 0.31 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.99 1j3a h TYR 49 Cb 0.31 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 1j3a h TYR 49 CO -0.12 0.53 -0.04 -0.22 -1.05 0.00 0.00 178.16 177.26 1j3a h LYS 50 N 0.00 1.06 0.00 4.88 1.63 0.16 -2.50 116.57 121.80 1j3a h LYS 50 Ca -0.01 -0.36 -0.12 0.00 -0.85 0.00 0.00 60.65 59.32 1j3a h LYS 50 Cb 1.31 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.84 1j3a h LYS 50 CO 0.07 1.05 -0.58 1.96 -3.45 0.00 0.00 179.45 178.50 1j3a h GLN 51 N 0.96 0.00 0.00 1.90 4.20 -1.18 -3.09 115.11 117.90 1j3a h GLN 51 Ca 0.16 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.75 1j3a h GLN 51 Cb 0.60 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1j3a h GLN 51 CO 0.04 0.58 -0.58 0.00 -0.67 0.00 0.00 178.83 178.21 1j3a h ARG 52 N 0.00 0.00 -6.28 1.46 3.08 -1.30 -3.52 114.38 107.83 1j3a h ARG 52 Ca -0.01 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1j3a h ARG 52 Cb 1.10 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.11 1j3a h ARG 52 CO 0.08 0.58 0.99 0.95 -1.07 0.00 0.00 179.97 181.49 1j3a s THR 53 N -3.68 4.06 0.00 2.04 -4.23 -0.97 -4.95 115.64 107.91 1j3a s THR 53 Ca -0.01 1.23 0.00 0.00 -1.18 0.00 0.00 61.69 61.72 1j3a s THR 53 Cb 0.13 -3.98 0.00 0.00 1.34 0.00 0.00 72.50 69.98 1j3a s THR 53 CO 0.75 -0.32 0.00 0.00 -0.54 0.00 0.00 174.62 174.51 1j3a n TYR 67 N 7.48 0.00 -1.63 3.99 9.36 -1.26 -5.14 117.16 129.97 1j3a n TYR 67 Ca 0.15 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 61.02 1j3a n TYR 67 Cb 0.46 -0.52 0.07 0.00 -0.63 0.00 0.00 39.34 38.72 1j3a n TYR 67 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1j3a s PRO 68 N -5.34 2.42 0.00 2.98 0.04 -1.26 -4.96 135.00 128.87 1j3a s PRO 68 Ca 0.00 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1j3a s PRO 68 Cb 0.00 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.68 1j3a s PRO 68 CO 0.00 -1.63 0.25 1.63 0.04 0.00 0.00 177.00 177.29 1j3a n LYS 69 N -2.33 3.09 -3.59 4.56 5.02 -1.26 -4.78 118.16 118.87 1j3a n LYS 69 Ca 0.14 -0.25 -0.36 0.00 -2.02 0.00 0.00 58.31 55.82 1j3a n LYS 69 Cb 0.50 -0.75 -0.06 0.00 -0.02 0.00 0.00 35.03 34.70 1j3a n LYS 69 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1j3a s ARG 70 N -0.53 3.77 0.18 1.97 3.52 -1.26 -3.84 118.95 122.75 1j3a s ARG 70 Ca 0.00 0.21 -0.16 0.00 -0.13 0.00 0.00 55.73 55.66 1j3a s ARG 70 Cb 0.00 -3.11 0.15 0.00 -1.56 0.00 0.00 34.95 30.43 1j3a s ARG 70 CO 0.01 0.64 1.66 0.77 -0.81 0.00 0.00 175.30 177.56 1j3a h SER 71 N 4.22 -0.41 -0.62 -2.12 0.02 -1.22 0.27 113.55 113.70 1j3a h SER 71 Ca -0.51 0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.52 1j3a h SER 71 Cb 1.21 0.28 -0.03 0.00 0.14 0.00 0.00 62.40 64.00 1j3a h SER 71 CO 0.64 -0.15 0.13 -2.24 -1.14 0.00 0.00 176.83 174.07 1j3a h ASP 72 N 0.01 0.98 -0.10 3.07 2.03 -1.90 -2.03 116.42 118.48 1j3a h ASP 72 Ca 0.23 -0.21 -0.12 0.00 -0.73 0.00 0.00 57.03 56.20 1j3a h ASP 72 Cb 0.35 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 38.58 1j3a h ASP 72 CO -0.48 0.95 -0.32 -0.33 -1.03 0.00 0.00 179.24 178.03 1j3a h GLU 73 N 0.98 0.59 -0.38 4.15 4.39 -1.74 -0.67 114.58 121.88 1j3a h GLU 73 Ca 0.20 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 1j3a h GLU 73 Cb 0.38 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1j3a h GLU 73 CO 0.00 0.84 0.04 0.82 -1.16 0.00 0.00 179.01 179.55 1j3a h ILE 74 N 0.50 1.25 -0.42 3.13 2.04 -0.72 -0.55 117.51 122.74 1j3a h ILE 74 Ca 0.06 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 64.97 1j3a h ILE 74 Cb 0.81 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1j3a h ILE 74 CO 0.07 0.31 0.09 0.58 0.00 0.00 0.00 178.15 179.19 1j3a h VAL 75 N 0.49 1.24 -0.54 1.67 2.07 -1.19 -1.39 116.25 118.60 1j3a h VAL 75 Ca 0.11 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.82 1j3a h VAL 75 Cb 0.40 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1j3a h VAL 75 CO 0.01 0.29 0.33 0.03 0.02 0.00 0.00 177.57 178.25 1j3a h ARG 76 N 0.55 0.64 -0.53 1.57 3.08 -0.95 -2.19 114.38 116.55 1j3a h ARG 76 Ca 0.13 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 1j3a h ARG 76 Cb 0.34 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1j3a h ARG 76 CO 0.00 0.42 -0.00 -0.09 -1.07 0.00 0.00 179.97 179.23 1j3a h ARG 77 N 0.65 0.89 -0.73 0.04 9.65 -0.95 -1.05 114.38 122.90 1j3a h ARG 77 Ca 0.21 -0.26 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 1j3a h ARG 77 Cb 0.00 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.45 1j3a h ARG 77 CO -0.09 0.89 0.36 1.15 2.80 0.00 0.00 179.97 185.08 1j3a h THR 78 N 0.83 1.23 -0.21 0.20 2.02 -0.91 -1.93 112.91 114.14 1j3a h THR 78 Ca 0.16 -0.65 -0.13 0.00 0.77 0.00 0.00 66.41 66.55 1j3a h THR 78 Cb 0.49 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1j3a h THR 78 CO 0.02 0.27 -0.43 0.40 0.37 0.00 0.00 175.52 176.16 1j3a h ILE 79 N 1.02 1.31 -0.52 3.11 2.04 -1.13 -2.89 117.51 120.46 1j3a h ILE 79 Ca 0.25 -1.61 -0.02 0.00 1.00 0.00 0.00 64.86 64.48 1j3a h ILE 79 Cb 0.11 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1j3a h ILE 79 CO -0.03 0.50 0.23 -0.09 0.00 0.00 0.00 178.15 178.76 1j3a h ARG 80 N 0.41 0.73 0.00 2.37 2.43 -0.68 -1.65 114.38 117.99 1j3a h ARG 80 Ca 0.03 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1j3a h ARG 80 Cb 0.93 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1j3a h ARG 80 CO 0.08 0.58 0.00 0.41 -1.51 0.00 0.00 179.97 179.53 1j3a n GLY 81 N -1.15 -1.11 0.74 2.80 0.00 -0.77 -2.22 105.19 103.47 1j3a n GLY 81 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1j3a n GLY 81 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1j3a n MET 82 N -1.78 1.79 -4.05 1.61 2.81 -0.63 -4.94 117.12 111.92 1j3a n MET 82 Ca 0.03 -1.48 -0.24 0.00 -1.81 0.00 0.00 57.70 54.20 1j3a n MET 82 Cb 0.19 -1.47 -0.04 0.00 -0.71 0.00 0.00 33.22 31.19 1j3a n MET 82 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1j3a s LEU 83 N -2.23 3.98 -0.95 4.03 1.43 -0.94 -4.96 118.68 119.04 1j3a s LEU 83 Ca 0.23 -0.09 -0.07 0.00 -1.03 0.00 0.00 54.13 53.17 1j3a s LEU 83 Cb 0.19 -2.54 -0.11 0.00 0.03 0.00 0.00 46.19 43.76 1j3a s LEU 83 CO 0.43 0.01 2.65 -0.81 0.23 0.00 0.00 176.35 178.86 1j3a n PRO 84 N -0.85 2.56 -0.19 1.29 -0.04 -1.26 -4.74 135.00 131.77 1j3a n PRO 84 Ca -0.08 -1.56 -0.05 0.00 -0.04 0.00 0.00 63.50 61.77 1j3a n PRO 84 Cb 0.56 -2.44 -0.04 0.00 -0.04 0.00 0.00 33.50 31.54 1j3a n PRO 84 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1j3a n TRP 85 N 3.56 -0.19 0.29 0.54 -0.00 -1.26 -0.31 117.44 120.07 1j3a n TRP 85 Ca 0.55 0.56 0.19 0.00 -0.00 0.00 0.00 57.50 58.80 1j3a n TRP 85 Cb 0.32 -0.54 1.02 0.00 -0.00 0.00 0.00 31.31 32.11 1j3a n TRP 85 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 1j3a h LYS 86 N 0.00 0.00 -7.07 5.87 1.63 -1.95 -3.35 116.57 111.70 1j3a h LYS 86 Ca 0.07 0.00 -0.45 0.00 -0.85 0.00 0.00 60.65 59.42 1j3a h LYS 86 Cb 0.19 0.00 0.06 0.00 -0.60 0.00 0.00 32.23 31.88 1j3a h LYS 86 CO -0.42 0.00 0.11 0.95 -3.45 0.00 0.00 179.45 176.63 1j3a s THR 87 N -3.96 2.76 0.26 1.00 -4.23 0.58 -4.98 115.64 107.07 1j3a s THR 87 Ca -0.04 -0.38 0.06 0.00 -1.18 0.00 0.00 61.69 60.15 1j3a s THR 87 Cb 0.11 -3.11 -0.01 0.00 1.34 0.00 0.00 72.50 70.83 1j3a s THR 87 CO 0.36 -0.10 1.62 -0.78 -0.54 0.00 0.00 174.62 175.18 1j3a h ASP 88 N -0.23 0.23 0.25 3.99 1.82 -1.85 -2.50 116.42 118.13 1j3a h ASP 88 Ca -0.44 -0.12 -0.15 0.00 -0.39 0.00 0.00 57.03 55.93 1j3a h ASP 88 Cb 1.30 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 41.23 1j3a h ASP 88 CO 0.57 0.72 -0.58 -0.09 -1.61 0.00 0.00 179.24 178.25 1j3a h ARG 89 N 0.16 0.34 -0.23 0.28 2.43 -1.93 -2.70 114.38 112.73 1j3a h ARG 89 Ca 0.00 -0.22 -0.19 0.00 -0.81 0.00 0.00 59.98 58.76 1j3a h ARG 89 Cb 1.00 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1j3a h ARG 89 CO 0.08 0.82 -0.60 0.78 -1.51 0.00 0.00 179.97 179.54 1j3a h GLY 90 N 1.33 0.88 1.03 2.80 0.00 -1.62 -2.59 103.07 104.91 1j3a h GLY 90 Ca -0.00 -1.11 -0.07 0.00 0.00 0.00 0.00 47.33 46.14 1j3a h GLY 90 CO 0.10 1.00 0.09 3.21 0.00 0.00 0.00 176.54 180.93 1j3a h ARG 91 N 0.56 0.98 -0.70 4.80 3.08 -1.44 -1.14 114.38 120.51 1j3a h ARG 91 Ca -0.01 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 1j3a h ARG 91 Cb 1.22 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 1j3a h ARG 91 CO 0.13 0.93 0.25 0.87 -1.07 0.00 0.00 179.97 181.08 1j3a h LYS 92 N 0.88 1.07 -0.45 0.04 1.57 -1.51 -2.42 116.57 115.74 1j3a h LYS 92 Ca 0.18 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1j3a h LYS 92 Cb 0.43 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1j3a h LYS 92 CO 0.01 0.90 0.04 0.00 -0.57 0.00 0.00 179.45 179.83 1j3a h ALA 93 N 1.12 0.61 0.00 3.86 0.00 -1.21 -2.86 119.26 120.77 1j3a h ALA 93 Ca 0.23 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1j3a h ALA 93 Cb 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1j3a h ALA 93 CO -0.01 0.37 -0.13 0.35 0.00 0.00 0.00 179.25 179.82 1j3a h PHE 94 N 0.63 0.00 0.00 0.00 3.57 -1.04 -1.65 116.94 118.45 1j3a h PHE 94 Ca 0.13 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1j3a h PHE 94 Cb 0.45 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1j3a h PHE 94 CO 0.03 0.13 -0.07 -0.09 -2.23 0.00 0.00 178.31 176.09 1j3a h ARG 95 N 0.00 0.00 -0.41 1.11 9.65 -1.19 -2.59 114.38 120.95 1j3a h ARG 95 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1j3a h ARG 95 Cb 0.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 1j3a h ARG 95 CO 0.02 0.07 0.00 0.54 2.80 0.00 0.00 179.97 183.39 1j3a n ARG 96 N -3.32 1.96 -4.47 0.20 1.74 -0.62 -4.88 116.66 107.28 1j3a n ARG 96 Ca -0.01 -1.38 -0.34 0.00 -0.77 0.00 0.00 57.85 55.35 1j3a n ARG 96 Cb 0.24 -1.34 -0.11 0.00 -1.02 0.00 0.00 32.46 30.23 1j3a n ARG 96 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1j3a s LEU 97 N -1.03 3.33 -0.03 0.55 2.96 -0.98 -1.62 118.68 121.86 1j3a s LEU 97 Ca 0.25 -0.00 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 1j3a s LEU 97 Cb 0.14 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 45.08 1j3a s LEU 97 CO 0.16 0.30 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.89 1j3a s LYS 98 N -0.45 0.91 -0.03 1.98 1.02 -0.61 -5.01 119.74 117.55 1j3a s LYS 98 Ca 0.07 -0.22 0.04 0.00 0.02 0.00 0.00 55.97 55.89 1j3a s LYS 98 Cb -0.12 -0.86 -0.00 0.00 -0.52 0.00 0.00 37.83 36.33 1j3a s LYS 98 CO 0.02 0.03 -0.16 0.08 -0.92 0.00 0.00 175.35 174.40 1j3a s VAL 99 N 0.50 1.30 0.05 3.17 1.01 -1.26 -0.53 120.40 124.63 1j3a s VAL 99 Ca -0.07 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1j3a s VAL 99 Cb -0.11 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1j3a s VAL 99 CO 0.01 0.38 -0.06 -0.31 0.00 0.00 0.00 175.10 175.12 1j3a s TYR 100 N -0.05 0.58 0.14 5.22 1.51 0.32 -4.93 117.35 120.13 1j3a s TYR 100 Ca -0.01 -0.66 -0.14 0.00 -1.01 0.00 0.00 57.07 55.25 1j3a s TYR 100 Cb -0.10 -0.36 -0.07 0.00 -0.11 0.00 0.00 41.96 41.32 1j3a s TYR 100 CO 0.01 -0.17 0.53 0.14 -1.11 0.00 0.00 175.55 174.96 1j3a s VAL 101 N -2.17 4.88 0.00 0.71 -7.23 -1.26 -1.65 120.40 113.68 1j3a s VAL 101 Ca -0.05 0.79 0.00 0.00 -1.81 0.00 0.00 61.98 60.91 1j3a s VAL 101 Cb -0.05 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.17 1j3a s VAL 101 CO -0.02 0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.63 1j3a n GLY 102 N 0.83 0.08 2.90 2.32 0.00 -1.26 -4.56 105.19 105.50 1j3a n GLY 102 Ca -0.06 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 1j3a n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j3a s ILE 103 N 0.00 1.69 0.67 -0.61 1.01 -1.26 -0.57 121.20 122.13 1j3a s ILE 103 Ca 0.00 -1.91 -0.17 0.00 0.00 0.00 0.00 60.65 58.58 1j3a s ILE 103 Cb 0.00 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 1j3a s ILE 103 CO 0.00 -0.60 0.85 -2.65 0.00 0.00 0.00 174.94 172.55 1j3a n PRO 104 N 4.51 0.59 -0.30 2.79 -0.02 -1.26 -4.69 135.00 136.62 1j3a n PRO 104 Ca 0.01 0.25 0.13 0.00 -2.02 0.00 0.00 63.50 61.86 1j3a n PRO 104 Cb 0.42 -2.10 0.30 0.00 -0.02 0.00 0.00 33.50 32.11 1j3a n PRO 104 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1j3a h LYS 105 N -0.01 0.35 0.00 -0.52 1.63 -2.00 -0.90 116.57 115.12 1j3a h LYS 105 Ca -0.47 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1j3a h LYS 105 Cb 1.35 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1j3a h LYS 105 CO 0.47 0.23 0.00 -0.85 -3.45 0.00 0.00 179.45 175.86 1j3a n GLU 106 N -5.08 0.14 0.00 1.90 0.00 -1.26 -2.48 120.64 113.87 1j3a n GLU 106 Ca 0.22 0.52 0.04 0.00 0.00 0.00 0.00 57.16 57.94 1j3a n GLU 106 Cb 0.66 -1.87 0.01 0.00 0.00 0.00 0.00 31.44 30.24 1j3a n GLU 106 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1j3a n PHE 107 N -2.16 0.00 0.26 -1.84 3.01 -0.36 -4.72 117.46 111.66 1j3a n PHE 107 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.55 1j3a n PHE 107 Cb 0.11 0.00 0.66 0.00 -0.01 0.00 0.00 39.48 40.24 1j3a n PHE 107 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1j3a h GLN 108 N 1.10 0.00 -0.30 -1.08 4.20 -1.28 -2.66 115.11 115.08 1j3a h GLN 108 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1j3a h GLN 108 Cb 0.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1j3a h GLN 108 CO 0.00 0.01 0.01 -0.25 -0.67 0.00 0.00 178.83 177.93 1j3a n ASP 109 N -4.46 3.82 -4.93 1.46 8.00 -1.26 -4.99 116.55 114.18 1j3a n ASP 109 Ca -0.03 -3.11 -0.20 0.00 0.71 0.00 0.00 54.79 52.16 1j3a n ASP 109 Cb 0.10 -0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 40.61 1j3a n ASP 109 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1j3a s LYS 110 N -2.89 2.94 -0.11 -1.24 1.02 -1.01 -5.06 119.74 113.39 1j3a s LYS 110 Ca 0.43 -1.15 -0.30 0.00 0.02 0.00 0.00 55.97 54.98 1j3a s LYS 110 Cb 0.36 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.98 1j3a s LYS 110 CO 0.08 0.06 1.18 -1.14 -0.92 0.00 0.00 175.35 174.62 1j3a s GLN 111 N -4.10 4.32 -0.24 1.68 0.74 -1.26 -5.00 119.66 115.79 1j3a s GLN 111 Ca 0.44 1.61 -0.09 0.00 0.05 0.00 0.00 55.36 57.37 1j3a s GLN 111 Cb -0.08 -3.62 -0.04 0.00 1.10 0.00 0.00 33.01 30.37 1j3a s GLN 111 CO 0.29 -0.52 0.12 -0.51 -0.55 0.00 0.00 175.29 174.12 1j3a s LEU 112 N 2.64 3.84 0.47 3.68 1.43 -1.26 -4.55 118.68 124.92 1j3a s LEU 112 Ca 0.54 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1j3a s LEU 112 Cb -0.22 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 43.97 1j3a s LEU 112 CO 0.18 0.03 0.70 -1.61 0.23 0.00 0.00 176.35 175.88 1j3a s GLU 113 N 1.24 2.98 0.41 1.70 0.41 0.43 -4.82 118.70 121.05 1j3a s GLU 113 Ca 0.06 -0.51 0.04 0.00 -0.41 0.00 0.00 54.97 54.15 1j3a s GLU 113 Cb -0.14 -2.54 -0.02 0.00 -1.78 0.00 0.00 34.13 29.65 1j3a s GLU 113 CO 0.05 -0.35 0.14 -0.08 -0.49 0.00 0.00 175.26 174.52 1j3a s THR 114 N -2.60 0.57 -0.36 3.63 -1.32 -1.26 -0.59 115.64 113.72 1j3a s THR 114 Ca 0.50 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.99 1j3a s THR 114 Cb -0.10 -2.35 0.11 0.00 -1.51 0.00 0.00 72.50 68.65 1j3a s THR 114 CO 0.38 0.00 0.13 -0.63 -2.21 0.00 0.00 174.62 172.29 1j3a s ILE 115 N -3.22 1.31 0.25 5.08 1.01 -1.26 -4.99 121.20 119.38 1j3a s ILE 115 Ca 0.24 -1.93 -0.04 0.00 0.00 0.00 0.00 60.65 58.92 1j3a s ILE 115 Cb 0.02 -1.96 0.26 0.00 0.01 0.00 0.00 42.46 40.79 1j3a s ILE 115 CO 0.15 -0.73 1.67 -0.37 0.00 0.00 0.00 174.94 175.66 1j3a h VAL 116 N 6.14 0.45 0.00 2.92 -1.51 -1.99 -0.19 116.25 122.07 1j3a h VAL 116 Ca -0.08 -0.08 -0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1j3a h VAL 116 Cb 0.99 0.19 -0.00 0.00 -2.13 0.00 0.00 31.29 30.34 1j3a h VAL 116 CO 0.49 0.04 -0.02 -0.33 -1.23 0.00 0.00 177.57 176.52 1j3a h GLU 117 N 0.24 0.00 -0.02 5.19 5.08 -2.01 -2.43 114.58 120.63 1j3a h GLU 117 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1j3a h GLU 117 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1j3a h GLU 117 CO -0.56 0.02 -0.07 0.00 -1.00 0.00 0.00 179.01 177.40 1j3a n ALA 118 N -2.16 2.68 -1.80 3.43 0.00 -0.09 -4.94 120.51 117.63 1j3a n ALA 118 Ca -0.02 -0.54 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 1j3a n ALA 118 Cb 0.14 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 1j3a n ALA 118 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1j3a s HIS 119 N -2.10 2.89 0.17 0.00 3.76 -0.92 -0.27 115.29 118.82 1j3a s HIS 119 Ca 0.31 0.41 0.28 0.00 -0.15 0.00 0.00 55.06 55.91 1j3a s HIS 119 Cb 0.20 -4.06 1.16 0.00 1.11 0.00 0.00 32.58 30.99 1j3a s HIS 119 CO 0.36 -4.04 1.92 -0.24 -0.85 0.00 0.00 174.74 171.90 1j3a h VAL 120 N 3.97 0.37 0.00 -0.90 3.04 -1.69 -2.61 116.25 118.43 1j3a h VAL 120 Ca -0.43 -0.83 0.00 0.00 -1.01 0.00 0.00 66.70 64.43 1j3a h VAL 120 Cb 1.20 1.62 0.00 0.00 -2.01 0.00 0.00 31.29 32.10 1j3a h VAL 120 CO 0.94 0.13 0.00 -1.54 -1.01 0.00 0.00 177.57 176.09 1j3a n SER 121 N -3.32 0.00 -0.32 3.17 3.41 -1.26 -1.73 113.62 113.57 1j3a n SER 121 Ca -0.00 0.47 0.09 0.00 -0.26 0.00 0.00 58.87 59.17 1j3a n SER 121 Cb 0.36 -0.48 0.42 0.00 -0.26 0.00 0.00 64.21 64.25 1j3a n SER 121 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1j3a n ARG 122 N -1.48 1.42 -3.76 4.33 1.74 -0.99 -4.81 116.66 113.11 1j3a n ARG 122 Ca 0.03 -0.63 -0.35 0.00 -0.77 0.00 0.00 57.85 56.12 1j3a n ARG 122 Cb 0.12 -1.33 -0.05 0.00 -1.02 0.00 0.00 32.46 30.17 1j3a n ARG 122 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1j3a s LEU 123 N -1.53 4.38 -0.01 0.55 1.43 -0.70 -5.02 118.68 117.77 1j3a s LEU 123 Ca 0.29 0.58 -0.25 0.00 -1.03 0.00 0.00 54.13 53.72 1j3a s LEU 123 Cb 0.15 -2.57 -0.19 0.00 0.03 0.00 0.00 46.19 43.61 1j3a s LEU 123 CO 0.23 0.28 1.24 0.28 0.23 0.00 0.00 176.35 178.61 1j3a h SER 124 N 4.20 -0.10 -2.51 2.29 0.02 -1.88 -3.38 113.55 112.20 1j3a h SER 124 Ca -0.51 -0.37 -0.60 0.00 -0.84 0.00 0.00 61.79 59.47 1j3a h SER 124 Cb 1.20 0.03 -0.42 0.00 0.14 0.00 0.00 62.40 63.35 1j3a h SER 124 CO 0.64 0.34 -0.64 -1.14 -1.14 0.00 0.00 176.83 174.89 1j3a n ARG 125 N -4.94 2.06 -2.06 3.45 0.63 -1.26 -5.09 116.66 109.44 1j3a n ARG 125 Ca -0.09 -4.44 -0.42 0.00 -0.92 0.00 0.00 57.85 51.98 1j3a n ARG 125 Cb 0.24 -2.17 -0.03 0.00 0.45 0.00 0.00 32.46 30.95 1j3a n ARG 125 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1j3a s PRO 126 N -1.92 4.21 -0.11 -0.14 0.02 -1.26 -5.01 135.00 130.78 1j3a s PRO 126 Ca 0.34 2.13 -0.01 0.00 0.02 0.00 0.00 61.00 63.49 1j3a s PRO 126 Cb 0.08 -3.81 0.03 0.00 0.02 0.00 0.00 34.50 30.81 1j3a s PRO 126 CO -0.08 -0.76 -0.07 0.21 -0.33 0.00 0.00 177.00 175.97 1j3a s LYS 127 N 3.40 1.43 0.34 5.54 2.20 -1.26 -5.09 119.74 126.30 1j3a s LYS 127 Ca 0.70 -0.22 -0.17 0.00 -0.36 0.00 0.00 55.97 55.92 1j3a s LYS 127 Cb -0.33 -1.53 0.04 0.00 -1.51 0.00 0.00 37.83 34.49 1j3a s LYS 127 CO 0.28 -0.27 0.74 1.52 -0.36 0.00 0.00 175.35 177.26 1j3a s TYR 128 N 1.74 0.04 0.08 4.03 -0.85 -1.25 -0.61 117.35 120.51 1j3a s TYR 128 Ca 0.05 -0.61 0.01 0.00 -0.52 0.00 0.00 57.07 56.01 1j3a s TYR 128 Cb -0.13 0.74 -0.04 0.00 0.38 0.00 0.00 41.96 42.92 1j3a s TYR 128 CO -0.08 -1.42 -0.06 0.14 -1.52 0.00 0.00 175.55 172.61 1j3a s VAL 129 N -3.00 0.60 0.42 -3.49 -7.23 -0.70 -4.92 120.40 102.07 1j3a s VAL 129 Ca 0.14 -1.72 -0.04 0.00 -1.81 0.00 0.00 61.98 58.55 1j3a s VAL 129 Cb -0.05 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.44 1j3a s VAL 129 CO 0.10 -0.78 0.70 0.42 -0.31 0.00 0.00 175.10 175.23 1j3a s THR 130 N -3.14 4.96 0.36 5.32 -4.23 -1.26 -0.98 115.64 116.68 1j3a s THR 130 Ca 0.06 0.04 0.04 0.00 -1.18 0.00 0.00 61.69 60.65 1j3a s THR 130 Cb 0.02 -3.84 0.23 0.00 1.34 0.00 0.00 72.50 70.25 1j3a s THR 130 CO -0.04 -0.71 1.99 0.58 -0.54 0.00 0.00 174.62 175.90 1j3a h VAL 131 N 0.52 1.16 -0.52 2.29 2.07 -1.13 -1.72 116.25 118.92 1j3a h VAL 131 Ca -0.48 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1j3a h VAL 131 Cb 1.21 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1j3a h VAL 131 CO 0.62 0.17 0.22 1.23 0.02 0.00 0.00 177.57 179.83 1j3a h GLY 132 N 0.76 0.79 1.52 2.17 0.00 -1.53 0.13 103.07 106.90 1j3a h GLY 132 Ca 0.18 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 1j3a h GLY 132 CO -0.03 0.36 -0.37 0.83 0.00 0.00 0.00 176.54 177.33 1j3a h GLU 133 N 0.73 0.54 -0.25 4.80 5.08 -1.59 -0.94 114.58 122.94 1j3a h GLU 133 Ca 0.18 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1j3a h GLU 133 Cb 0.13 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1j3a h GLU 133 CO -0.02 0.83 -0.13 0.28 -1.00 0.00 0.00 179.01 178.97 1j3a h VAL 134 N 0.45 1.30 -0.53 3.13 2.07 -0.98 -2.02 116.25 119.66 1j3a h VAL 134 Ca 0.04 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.39 1j3a h VAL 134 Cb 0.86 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 1j3a h VAL 134 CO 0.07 0.38 0.31 0.00 0.02 0.00 0.00 177.57 178.35 1j3a h ALA 135 N 0.73 0.69 -0.61 1.67 0.00 -0.81 -1.16 119.26 119.76 1j3a h ALA 135 Ca 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1j3a h ALA 135 Cb 0.63 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1j3a h ALA 135 CO 0.04 0.01 0.33 -0.22 0.00 0.00 0.00 179.25 179.41 1j3a h LYS 136 N 0.61 0.85 -0.83 0.00 3.64 -1.11 0.30 116.57 120.03 1j3a h LYS 136 Ca 0.22 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1j3a h LYS 136 Cb 0.05 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 1j3a h LYS 136 CO -0.11 0.65 0.52 0.35 -2.27 0.00 0.00 179.45 178.58 1j3a h PHE 137 N 0.83 1.07 0.00 1.91 3.57 -0.86 -2.20 116.94 121.26 1j3a h PHE 137 Ca 0.21 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1j3a h PHE 137 Cb 0.04 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.43 1j3a h PHE 137 CO -0.01 0.70 0.00 -0.07 -2.23 0.00 0.00 178.31 176.70 1j3a h LEU 138 N 1.13 0.00 0.00 0.59 3.38 -0.85 -3.46 115.31 116.10 1j3a h LEU 138 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1j3a h LEU 138 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1j3a h LEU 138 CO -0.06 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.08 1j3a n GLY 139 N 0.51 1.00 3.80 0.83 0.00 -0.70 -5.05 105.19 105.59 1j3a n GLY 139 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1j3a n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j3a s GLY 140 N -2.00 2.27 0.25 -0.02 0.00 0.98 -4.95 107.32 103.85 1j3a s GLY 140 Ca 0.00 0.46 -0.06 0.00 0.00 0.00 0.00 44.72 45.12 1j3a s GLY 140 CO 0.00 0.77 1.91 1.70 0.00 0.00 0.00 173.10 177.48 1j3a h LYS 141 N 0.94 1.24 0.00 2.90 1.63 -1.85 -3.40 116.57 118.01 1j3a h LYS 141 Ca -0.48 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.25 1j3a h LYS 141 Cb 1.22 -0.28 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 1j3a h LYS 141 CO 0.58 0.82 0.00 1.97 -3.45 0.00 0.00 179.45 179.37