#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3p s LYS 4 N 0.00 3.79 0.05 -0.72 1.02 -1.26 -5.00 119.74 117.62 1j3p s LYS 4 Ca 0.00 1.17 -0.30 0.00 0.02 0.00 0.00 55.97 56.86 1j3p s LYS 4 Cb 0.00 -2.10 -0.05 0.00 -0.52 0.00 0.00 37.83 35.16 1j3p s LYS 4 CO 0.00 -0.42 1.03 -1.21 -0.92 0.00 0.00 175.35 173.83 1j3p s GLU 5 N -3.66 4.57 0.71 1.68 0.41 -1.26 -5.04 118.70 116.11 1j3p s GLU 5 Ca 0.63 1.52 -0.11 0.00 -0.41 0.00 0.00 54.97 56.60 1j3p s GLU 5 Cb -0.13 -3.40 0.01 0.00 -1.78 0.00 0.00 34.13 28.83 1j3p s GLU 5 CO 0.26 -0.02 1.07 -1.25 -0.49 0.00 0.00 175.26 174.83 1j3p s PRO 6 N 0.67 2.84 0.20 0.39 0.04 -1.26 -5.06 135.00 132.82 1j3p s PRO 6 Ca 0.52 0.77 -0.20 0.00 0.04 0.00 0.00 61.00 62.13 1j3p s PRO 6 Cb -0.24 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.35 1j3p s PRO 6 CO 0.29 -1.12 0.59 -0.59 0.04 0.00 0.00 177.00 176.21 1j3p s PHE 7 N -3.14 -0.27 -0.06 0.56 -0.12 -1.26 -5.15 117.98 108.53 1j3p s PHE 7 Ca 0.58 -0.05 0.02 0.00 -0.05 0.00 0.00 56.93 57.43 1j3p s PHE 7 Cb -0.13 0.52 0.01 0.00 -0.63 0.00 0.00 43.02 42.79 1j3p s PHE 7 CO 0.54 -0.96 -0.13 0.20 -0.05 0.00 0.00 175.22 174.82 1j3p s GLY 8 N -2.84 0.82 0.01 1.99 0.00 -1.26 -5.13 107.32 100.90 1j3p s GLY 8 Ca 0.07 -0.45 0.05 0.00 0.00 0.00 0.00 44.72 44.39 1j3p s GLY 8 CO -0.04 0.07 -0.14 -1.34 0.00 0.00 0.00 173.10 171.65 1j3p s VAL 9 N 0.60 1.13 0.02 1.40 -7.23 -1.26 -5.10 120.40 109.97 1j3p s VAL 9 Ca -0.14 -0.78 -0.25 0.00 -1.81 0.00 0.00 61.98 59.00 1j3p s VAL 9 Cb -0.15 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.76 1j3p s VAL 9 CO 0.04 0.19 0.78 -0.54 -0.31 0.00 0.00 175.10 175.26 1j3p s LYS 10 N -0.67 4.50 -0.17 4.82 1.02 -1.26 -4.84 119.74 123.14 1j3p s LYS 10 Ca 0.04 1.08 -0.06 0.00 0.02 0.00 0.00 55.97 57.05 1j3p s LYS 10 Cb -0.06 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.82 1j3p s LYS 10 CO 0.00 0.20 0.02 -1.17 -0.92 0.00 0.00 175.35 173.48 1j3p s LEU 11 N 0.25 3.57 -0.50 3.17 0.20 -1.26 -1.78 118.68 122.32 1j3p s LEU 11 Ca 0.40 -0.01 -0.21 0.00 0.69 0.00 0.00 54.13 55.00 1j3p s LEU 11 Cb -0.20 -1.88 0.04 0.00 -0.43 0.00 0.00 46.19 43.72 1j3p s LEU 11 CO 0.23 0.17 0.75 -0.62 -0.29 0.00 0.00 176.35 176.59 1j3p s ASP 12 N 0.36 6.30 0.62 3.68 -1.08 -0.56 -4.93 116.67 121.07 1j3p s ASP 12 Ca -0.00 -0.54 0.32 0.00 -0.52 0.00 0.00 52.55 51.81 1j3p s ASP 12 Cb -0.13 -2.35 1.82 0.00 -1.46 0.00 0.00 42.92 40.79 1j3p s ASP 12 CO 0.01 -0.99 2.11 -0.26 0.52 0.00 0.00 175.17 176.57 1j3p h PHE 13 N 9.08 0.00 0.09 -5.34 0.04 -1.95 0.73 116.94 119.58 1j3p h PHE 13 Ca -0.26 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.18 1j3p h PHE 13 Cb 1.09 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.21 1j3p h PHE 13 CO 0.80 0.00 -1.76 0.93 -0.60 0.00 0.00 178.31 177.69 1j3p h GLU 14 N 0.00 0.19 0.00 1.51 4.39 -1.97 -3.41 114.58 115.29 1j3p h GLU 14 Ca 0.05 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1j3p h GLU 14 Cb 0.44 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1j3p h GLU 14 CO -0.00 0.98 -1.14 0.25 -1.16 0.00 0.00 179.01 177.95 1j3p n THR 15 N -3.35 0.00 -0.91 1.13 -2.24 -0.98 -5.00 114.28 102.93 1j3p n THR 15 Ca -0.22 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1j3p n THR 15 Cb 1.05 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 1j3p n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3p n GLY 16 N 1.63 1.08 3.73 3.38 0.00 0.25 -4.96 105.19 110.30 1j3p n GLY 16 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1j3p n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j3p s ILE 17 N -3.87 3.78 -0.13 -0.61 1.01 -1.25 -4.72 121.20 115.40 1j3p s ILE 17 Ca 0.00 1.38 -0.02 0.00 0.00 0.00 0.00 60.65 62.02 1j3p s ILE 17 Cb 0.00 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 1j3p s ILE 17 CO 0.00 0.17 -0.07 -0.63 0.00 0.00 0.00 174.94 174.41 1j3p s ILE 18 N 0.46 3.59 0.53 2.92 1.01 -1.26 -1.49 121.20 126.96 1j3p s ILE 18 Ca 0.56 -0.48 -0.22 0.00 0.00 0.00 0.00 60.65 60.51 1j3p s ILE 18 Cb -0.31 -2.53 -0.06 0.00 0.01 0.00 0.00 42.46 39.57 1j3p s ILE 18 CO 0.33 0.53 1.32 -0.62 0.00 0.00 0.00 174.94 176.49 1j3p n GLU 19 N 3.22 1.69 -0.58 2.79 1.02 -0.73 -2.38 120.64 125.66 1j3p n GLU 19 Ca -0.18 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1j3p n GLU 19 Cb 0.53 -2.51 0.00 0.00 -0.02 0.00 0.00 31.44 29.43 1j3p n GLU 19 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1j3p n ASN 20 N -0.76 -0.76 -4.79 1.62 3.02 -1.26 -4.76 115.26 107.57 1j3p n ASN 20 Ca 0.10 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.34 1j3p n ASN 20 Cb 0.44 -2.54 0.07 0.00 -0.61 0.00 0.00 39.78 37.14 1j3p n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j3p s ALA 21 N -1.10 2.45 -0.28 5.41 0.00 -1.00 -4.96 121.76 122.28 1j3p s ALA 21 Ca 0.00 0.22 -0.16 0.00 0.00 0.00 0.00 51.96 52.01 1j3p s ALA 21 Cb 0.00 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1j3p s ALA 21 CO 0.00 -1.50 0.44 0.21 0.00 0.00 0.00 175.76 174.91 1j3p s LYS 22 N -4.88 3.96 -0.08 0.00 2.47 0.91 -4.81 119.74 117.31 1j3p s LYS 22 Ca 0.60 0.09 -0.16 0.00 -1.56 0.00 0.00 55.97 54.95 1j3p s LYS 22 Cb -0.16 -3.68 -0.05 0.00 -1.46 0.00 0.00 37.83 32.48 1j3p s LYS 22 CO 0.54 -0.37 0.41 0.21 0.16 0.00 0.00 175.35 176.30 1j3p s LYS 23 N 2.20 4.16 0.07 4.03 2.20 -1.26 -1.24 119.74 129.90 1j3p s LYS 23 Ca 0.18 0.35 0.06 0.00 -0.36 0.00 0.00 55.97 56.19 1j3p s LYS 23 Cb -0.16 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 1j3p s LYS 23 CO 0.10 0.38 -0.16 -1.54 -0.36 0.00 0.00 175.35 173.78 1j3p s SER 24 N -0.06 1.85 -0.03 1.43 1.04 -0.26 -4.98 113.70 112.70 1j3p s SER 24 Ca 0.23 -0.61 0.04 0.00 0.48 0.00 0.00 55.95 56.09 1j3p s SER 24 Cb -0.15 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 65.89 1j3p s SER 24 CO 0.10 -0.03 -0.16 -0.69 0.98 0.00 0.00 173.24 173.43 1j3p s VAL 25 N -1.20 1.33 -0.18 5.02 1.01 -1.26 -1.18 120.40 123.95 1j3p s VAL 25 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1j3p s VAL 25 Cb -0.10 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.18 1j3p s VAL 25 CO 0.03 0.38 -0.13 -0.13 0.00 0.00 0.00 175.10 175.25 1j3p s ARG 26 N -0.06 2.27 0.48 2.72 1.81 -0.29 -5.03 118.95 120.86 1j3p s ARG 26 Ca -0.01 -0.73 0.09 0.00 -1.72 0.00 0.00 55.73 53.36 1j3p s ARG 26 Cb -0.10 -2.31 0.04 0.00 -0.45 0.00 0.00 34.95 32.13 1j3p s ARG 26 CO 0.01 -0.32 0.65 1.03 -0.68 0.00 0.00 175.30 175.99 1j3p s ARG 27 N 1.42 2.62 0.36 3.54 0.52 -1.26 -1.05 118.95 125.10 1j3p s ARG 27 Ca 0.02 -1.41 0.05 0.00 -0.52 0.00 0.00 55.73 53.88 1j3p s ARG 27 Cb -0.14 -2.70 0.72 0.00 0.52 0.00 0.00 34.95 33.35 1j3p s ARG 27 CO -0.10 -0.49 1.97 -0.07 0.02 0.00 0.00 175.30 176.63 1j3p h LEU 28 N 0.48 0.67 -2.34 2.53 3.38 -1.71 -0.81 115.31 117.50 1j3p h LEU 28 Ca -0.36 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1j3p h LEU 28 Cb 1.28 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1j3p h LEU 28 CO 0.44 0.45 -0.04 0.77 0.09 0.00 0.00 178.44 180.14 1j3p h SER 29 N 0.77 0.00 0.61 -0.43 4.64 -1.88 -0.76 113.55 116.50 1j3p h SER 29 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1j3p h SER 29 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1j3p h SER 29 CO -0.09 0.04 -0.02 0.47 -0.87 0.00 0.00 176.83 176.35 1j3p n ASP 30 N -3.65 0.07 -2.53 4.97 8.00 -0.31 -4.02 116.55 119.08 1j3p n ASP 30 Ca -0.03 -0.10 -0.28 0.00 0.71 0.00 0.00 54.79 55.10 1j3p n ASP 30 Cb 0.14 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1j3p n ASP 30 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1j3p n MET 31 N -1.29 3.39 -2.09 -1.24 2.81 -0.29 -4.98 117.12 113.43 1j3p n MET 31 Ca 0.13 -4.47 -0.42 0.00 -1.81 0.00 0.00 57.70 51.13 1j3p n MET 31 Cb 0.26 -2.25 -0.03 0.00 -0.71 0.00 0.00 33.22 30.49 1j3p n MET 31 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1j3p s LYS 32 N -3.57 4.29 0.00 0.03 2.20 -1.26 -2.43 119.74 119.01 1j3p s LYS 32 Ca 0.48 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 58.26 1j3p s LYS 32 Cb 0.40 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.51 1j3p s LYS 32 CO -0.20 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 174.73 1j3p n GLY 33 N 3.39 1.19 0.11 5.54 0.00 -1.26 -4.91 105.19 109.25 1j3p n GLY 33 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 1j3p n GLY 33 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1j3p h TYR 34 N 0.00 0.54 -3.06 1.61 -1.99 -1.86 -3.45 116.97 108.76 1j3p h TYR 34 Ca 0.00 -0.39 -0.61 0.00 2.00 0.00 0.00 58.73 59.73 1j3p h TYR 34 Cb 0.00 -0.02 -0.07 0.00 2.00 0.00 0.00 36.73 38.64 1j3p h TYR 34 CO 0.00 1.37 -0.25 -0.06 -0.00 0.00 0.00 178.16 179.22 1j3p s PHE 35 N -2.63 3.64 0.27 4.88 0.08 -1.26 -5.00 117.98 117.96 1j3p s PHE 35 Ca -0.07 0.85 -0.04 0.00 0.12 0.00 0.00 56.93 57.80 1j3p s PHE 35 Cb 0.07 -2.29 0.36 0.00 -0.57 0.00 0.00 43.02 40.59 1j3p s PHE 35 CO 0.88 0.52 1.92 0.97 -0.10 0.00 0.00 175.22 179.41 1j3p h ILE 36 N 4.05 1.23 -2.15 0.64 2.10 -1.91 -3.37 117.51 118.10 1j3p h ILE 36 Ca -0.49 -0.51 -0.60 0.00 1.08 0.00 0.00 64.86 64.34 1j3p h ILE 36 Cb 1.21 0.06 -0.12 0.00 -1.09 0.00 0.00 36.82 36.87 1j3p h ILE 36 CO 0.65 0.24 0.98 -0.62 -1.08 0.00 0.00 178.15 178.33 1j3p s ASP 37 N -6.29 6.32 0.16 2.19 -1.08 -1.26 -4.88 116.67 111.83 1j3p s ASP 37 Ca -0.12 -1.10 -0.12 0.00 -0.52 0.00 0.00 52.55 50.69 1j3p s ASP 37 Cb 0.17 -2.50 0.05 0.00 -1.46 0.00 0.00 42.92 39.19 1j3p s ASP 37 CO 0.81 -1.52 1.68 -0.08 0.52 0.00 0.00 175.17 176.58 1j3p h GLU 38 N 9.65 0.86 -0.47 4.34 4.81 -1.98 -2.43 114.58 129.35 1j3p h GLU 38 Ca -0.10 -0.19 -0.10 0.00 -0.13 0.00 0.00 59.36 58.84 1j3p h GLU 38 Cb 1.04 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 1j3p h GLU 38 CO 1.26 0.79 -0.10 0.93 -0.73 0.00 0.00 179.01 181.16 1j3p h GLU 39 N 0.77 0.86 -0.45 1.92 4.39 -1.96 0.24 114.58 120.35 1j3p h GLU 39 Ca 0.18 -0.29 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 1j3p h GLU 39 Cb 0.30 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1j3p h GLU 39 CO -0.00 0.92 0.02 0.00 -1.16 0.00 0.00 179.01 178.79 1j3p h ALA 40 N 1.11 1.19 0.46 3.43 0.00 -1.93 0.94 119.26 124.45 1j3p h ALA 40 Ca 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1j3p h ALA 40 Cb 0.61 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1j3p h ALA 40 CO 0.04 0.53 -0.22 2.35 0.00 0.00 0.00 179.25 181.95 1j3p h TRP 41 N 0.69 -0.57 -0.76 0.00 7.01 -0.90 -1.03 115.95 120.38 1j3p h TRP 41 Ca 0.14 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.24 1j3p h TRP 41 Cb 0.39 0.19 -0.08 0.00 -2.10 0.00 0.00 29.16 27.56 1j3p h TRP 41 CO 0.02 -0.25 0.38 0.87 -2.79 0.00 0.00 178.44 176.67 1j3p h LYS 42 N -0.98 0.59 0.27 2.65 1.57 -0.43 0.36 116.57 120.59 1j3p h LYS 42 Ca -0.06 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1j3p h LYS 42 Cb 0.58 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1j3p h LYS 42 CO 0.10 0.39 -0.13 -0.22 -0.57 0.00 0.00 179.45 179.03 1j3p h LYS 43 N 0.61 -0.34 -0.44 3.15 3.64 -0.80 -1.37 116.57 121.02 1j3p h LYS 43 Ca 0.39 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.76 1j3p h LYS 43 Cb 0.46 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1j3p h LYS 43 CO -0.30 -0.18 0.15 0.52 -2.27 0.00 0.00 179.45 177.37 1j3p h MET 44 N -0.43 0.63 0.06 1.90 2.86 -0.71 -2.44 114.93 116.80 1j3p h MET 44 Ca -0.04 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1j3p h MET 44 Cb 0.32 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1j3p h MET 44 CO 0.06 0.54 -0.03 0.28 1.06 0.00 0.00 176.91 178.83 1j3p h VAL 45 N 0.62 1.06 -0.68 -2.22 2.07 -0.75 -2.27 116.25 114.09 1j3p h VAL 45 Ca 0.15 -0.38 0.16 0.00 0.82 0.00 0.00 66.70 67.46 1j3p h VAL 45 Cb 0.17 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1j3p h VAL 45 CO -0.01 0.09 0.47 -0.33 0.02 0.00 0.00 177.57 177.81 1j3p h GLU 46 N -0.24 0.19 -0.77 1.57 5.08 -0.94 0.60 114.58 120.06 1j3p h GLU 46 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1j3p h GLU 46 Cb 0.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1j3p h GLU 46 CO 0.01 0.12 0.00 0.39 -1.00 0.00 0.00 179.01 178.54 1j3p n GLU 47 N -4.42 0.78 -1.60 2.33 -0.58 -0.86 -4.73 120.64 111.56 1j3p n GLU 47 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1j3p n GLU 47 Cb 0.61 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 1j3p n GLU 47 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j3p n GLY 48 N 0.11 0.55 0.00 0.62 0.00 0.16 -4.80 105.19 101.84 1j3p n GLY 48 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1j3p n GLY 48 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j3p n ASP 49 N -0.94 0.00 -4.72 1.61 3.85 0.14 -4.84 116.55 111.65 1j3p n ASP 49 Ca 0.00 0.00 -0.30 0.00 -0.71 0.00 0.00 54.79 53.78 1j3p n ASP 49 Cb 0.42 0.00 0.13 0.00 -1.35 0.00 0.00 41.12 40.33 1j3p n ASP 49 CO 0.00 0.00 0.00 -2.16 -1.01 0.00 0.00 177.20 174.03 1j3p s PRO 50 N 0.00 1.34 0.09 0.11 0.04 -1.26 -4.54 135.00 130.78 1j3p s PRO 50 Ca 0.00 0.84 -0.30 0.00 0.04 0.00 0.00 61.00 61.58 1j3p s PRO 50 Cb 0.00 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.66 1j3p s PRO 50 CO 0.00 -2.19 1.17 0.08 0.04 0.00 0.00 177.00 176.10 1j3p s VAL 51 N -2.94 4.00 -0.16 -0.36 1.01 -1.26 -2.41 120.40 118.27 1j3p s VAL 51 Ca 0.63 1.49 -0.14 0.00 0.00 0.00 0.00 61.98 63.96 1j3p s VAL 51 Cb -0.18 -3.96 -0.23 0.00 0.00 0.00 0.00 36.38 32.02 1j3p s VAL 51 CO 0.57 0.15 0.29 0.52 0.00 0.00 0.00 175.10 176.63 1j3p n VAL 52 N 3.55 1.66 -3.47 2.92 0.31 -0.21 -4.74 118.33 118.35 1j3p n VAL 52 Ca 0.07 -0.34 -0.14 0.00 -0.01 0.00 0.00 64.34 63.93 1j3p n VAL 52 Cb 0.46 -1.89 -0.04 0.00 -0.91 0.00 0.00 33.84 31.46 1j3p n VAL 52 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1j3p s TYR 53 N -2.46 -0.55 0.09 3.52 -0.85 -1.00 -0.66 117.35 115.44 1j3p s TYR 53 Ca -0.26 0.60 0.07 0.00 -0.52 0.00 0.00 57.07 56.97 1j3p s TYR 53 Cb 0.06 0.50 -0.03 0.00 0.38 0.00 0.00 41.96 42.87 1j3p s TYR 53 CO 0.68 -0.71 -0.19 -1.21 -1.52 0.00 0.00 175.55 172.61 1j3p s GLU 54 N -2.67 1.03 -0.03 -3.49 2.02 -0.73 -1.13 118.70 113.70 1j3p s GLU 54 Ca -0.03 -1.10 0.04 0.00 0.02 0.00 0.00 54.97 53.90 1j3p s GLU 54 Cb -0.01 -1.21 -0.00 0.00 0.10 0.00 0.00 34.13 33.01 1j3p s GLU 54 CO -0.04 0.28 -0.13 0.08 0.02 0.00 0.00 175.26 175.46 1j3p s VAL 55 N -1.20 1.11 -0.37 2.63 1.01 -0.32 -0.61 120.40 122.66 1j3p s VAL 55 Ca 0.04 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1j3p s VAL 55 Cb -0.10 -0.95 0.10 0.00 0.00 0.00 0.00 36.38 35.43 1j3p s VAL 55 CO 0.04 0.32 0.10 -0.31 0.00 0.00 0.00 175.10 175.25 1j3p s TYR 56 N -0.04 3.70 0.09 5.22 2.02 -0.37 -1.10 117.35 126.88 1j3p s TYR 56 Ca -0.00 -2.86 0.07 0.00 -0.37 0.00 0.00 57.07 53.91 1j3p s TYR 56 Cb -0.08 -3.01 -0.04 0.00 -0.40 0.00 0.00 41.96 38.43 1j3p s TYR 56 CO 0.01 -0.95 -0.13 0.00 -1.57 0.00 0.00 175.55 172.91 1j3p s ALA 57 N 0.91 2.86 -0.33 3.71 0.00 -0.37 -1.70 121.76 126.84 1j3p s ALA 57 Ca 0.11 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.83 1j3p s ALA 57 Cb -0.20 -0.84 0.10 0.00 0.00 0.00 0.00 23.12 22.18 1j3p s ALA 57 CO -0.07 0.62 0.09 0.42 0.00 0.00 0.00 175.76 176.83 1j3p s ILE 58 N -1.15 1.34 0.05 0.00 -1.09 -0.30 -0.06 121.20 119.99 1j3p s ILE 58 Ca 0.20 -1.77 0.06 0.00 -2.23 0.00 0.00 60.65 56.90 1j3p s ILE 58 Cb -0.11 -2.00 -0.04 0.00 -1.58 0.00 0.00 42.46 38.73 1j3p s ILE 58 CO 0.12 -0.67 -0.13 -1.61 -1.23 0.00 0.00 174.94 171.42 1j3p s GLU 59 N 1.31 2.21 0.55 2.79 2.02 -1.26 -2.38 118.70 123.94 1j3p s GLU 59 Ca 0.11 -0.93 0.07 0.00 0.02 0.00 0.00 54.97 54.24 1j3p s GLU 59 Cb -0.18 -2.31 0.07 0.00 0.10 0.00 0.00 34.13 31.81 1j3p s GLU 59 CO -0.18 0.55 0.75 -0.65 0.02 0.00 0.00 175.26 175.75 1j3p s GLN 60 N -1.67 2.39 0.70 1.61 -1.52 -1.26 -5.07 119.66 114.84 1j3p s GLN 60 Ca 0.17 -1.37 -0.15 0.00 -1.95 0.00 0.00 55.36 52.06 1j3p s GLN 60 Cb -0.11 -2.62 0.02 0.00 -0.22 0.00 0.00 33.01 30.08 1j3p s GLN 60 CO 0.08 -0.76 1.19 -1.21 -0.25 0.00 0.00 175.29 174.34 1j3p s GLU 61 N -4.65 2.36 -0.69 2.91 2.02 -1.26 -4.83 118.70 114.56 1j3p s GLU 61 Ca 0.60 1.70 -0.26 0.00 0.02 0.00 0.00 54.97 57.03 1j3p s GLU 61 Cb -0.07 -1.87 -0.05 0.00 0.10 0.00 0.00 34.13 32.24 1j3p s GLU 61 CO 0.38 -1.66 2.04 -2.00 0.02 0.00 0.00 175.26 174.05 1j3p s GLU 62 N -3.88 2.39 -0.05 1.61 2.12 -1.26 -4.76 118.70 114.88 1j3p s GLU 62 Ca 0.73 0.50 -0.03 0.00 0.36 0.00 0.00 54.97 56.53 1j3p s GLU 62 Cb -0.28 -4.65 0.02 0.00 0.26 0.00 0.00 34.13 29.49 1j3p s GLU 62 CO 0.43 -3.20 0.12 0.21 -0.54 0.00 0.00 175.26 172.28 1j3p s LYS 63 N 7.46 0.11 0.23 4.30 2.20 -1.26 -4.85 119.74 127.94 1j3p s LYS 63 Ca 0.76 0.22 -0.32 0.00 -0.36 0.00 0.00 55.97 56.28 1j3p s LYS 63 Cb -0.12 -0.02 -0.13 0.00 -1.51 0.00 0.00 37.83 36.05 1j3p s LYS 63 CO 0.15 -0.06 1.42 -1.91 -0.36 0.00 0.00 175.35 174.58 1j3p n GLU 64 N 3.40 2.02 0.00 4.03 2.13 -1.26 -2.03 120.64 128.92 1j3p n GLU 64 Ca -0.17 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.37 1j3p n GLU 64 Cb 0.57 -2.38 0.00 0.00 0.27 0.00 0.00 31.44 29.89 1j3p n GLU 64 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1j3p n GLY 65 N 2.26 1.92 3.98 8.31 0.00 -1.26 -5.04 105.19 115.37 1j3p n GLY 65 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 1j3p n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j3p s ASP 66 N -3.11 5.15 0.02 1.61 -1.08 -0.86 -4.99 116.67 113.41 1j3p s ASP 66 Ca 0.00 -0.13 0.02 0.00 -0.52 0.00 0.00 52.55 51.92 1j3p s ASP 66 Cb 0.00 -0.67 -0.01 0.00 -1.46 0.00 0.00 42.92 40.77 1j3p s ASP 66 CO 0.00 -1.23 -0.08 -0.76 0.52 0.00 0.00 175.17 173.62 1j3p s LEU 67 N -4.79 2.13 0.19 -1.34 1.43 -1.26 -1.39 118.68 113.66 1j3p s LEU 67 Ca 0.59 -0.33 0.10 0.00 -1.03 0.00 0.00 54.13 53.45 1j3p s LEU 67 Cb -0.09 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.81 1j3p s LEU 67 CO 0.39 -0.05 -0.12 0.20 0.23 0.00 0.00 176.35 177.00 1j3p s ASN 68 N -0.86 4.09 0.01 2.29 0.01 -0.10 -4.42 114.94 115.96 1j3p s ASN 68 Ca -0.03 -0.66 -0.13 0.00 -0.71 0.00 0.00 52.86 51.33 1j3p s ASN 68 Cb -0.06 -0.62 0.02 0.00 0.41 0.00 0.00 41.25 40.99 1j3p s ASN 68 CO 0.00 0.10 0.27 0.72 -1.51 0.00 0.00 177.10 176.68 1j3p s PHE 69 N -1.78 -0.10 -0.18 2.20 -0.12 -1.00 -1.68 117.98 115.31 1j3p s PHE 69 Ca 0.25 0.07 -0.28 0.00 -0.05 0.00 0.00 56.93 56.92 1j3p s PHE 69 Cb -0.08 0.06 0.11 0.00 -0.63 0.00 0.00 43.02 42.48 1j3p s PHE 69 CO 0.14 -0.41 0.93 0.00 -0.05 0.00 0.00 175.22 175.83 1j3p s ALA 70 N -1.79 -1.90 0.12 1.99 0.00 -0.25 -1.15 121.76 118.78 1j3p s ALA 70 Ca -0.11 1.66 0.02 0.00 0.00 0.00 0.00 51.96 53.53 1j3p s ALA 70 Cb -0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1j3p s ALA 70 CO 0.01 -0.30 0.21 0.95 0.00 0.00 0.00 175.76 176.63 1j3p s THR 71 N -0.62 5.11 -0.02 0.00 -4.23 -0.69 0.32 115.64 115.51 1j3p s THR 71 Ca -0.02 -0.67 0.04 0.00 -1.18 0.00 0.00 61.69 59.86 1j3p s THR 71 Cb -0.02 -3.57 -0.01 0.00 1.34 0.00 0.00 72.50 70.24 1j3p s THR 71 CO 0.01 -0.00 -0.14 -0.89 -0.54 0.00 0.00 174.62 173.06 1j3p s THR 72 N -1.63 1.16 -0.40 3.99 2.01 -0.04 -1.24 115.64 119.49 1j3p s THR 72 Ca 0.33 -0.60 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 1j3p s THR 72 Cb -0.12 -0.98 0.11 0.00 0.01 0.00 0.00 72.50 71.52 1j3p s THR 72 CO 0.27 0.33 0.18 -0.69 -0.69 0.00 0.00 174.62 174.02 1j3p s VAL 73 N -0.18 3.22 -0.44 3.82 1.01 0.22 -2.07 120.40 125.98 1j3p s VAL 73 Ca 0.02 -2.02 -0.19 0.00 0.00 0.00 0.00 61.98 59.79 1j3p s VAL 73 Cb -0.07 -3.19 0.03 0.00 0.00 0.00 0.00 36.38 33.14 1j3p s VAL 73 CO 0.00 -0.65 0.57 -0.22 0.00 0.00 0.00 175.10 174.80 1j3p s LEU 74 N 1.14 4.71 0.46 3.92 2.96 0.50 -1.76 118.68 130.60 1j3p s LEU 74 Ca 0.08 -0.56 -0.22 0.00 -0.22 0.00 0.00 54.13 53.21 1j3p s LEU 74 Cb -0.22 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.83 1j3p s LEU 74 CO -0.04 -0.73 1.13 -0.31 -1.32 0.00 0.00 176.35 175.08 1j3p s TYR 75 N 2.56 2.92 0.43 5.38 2.02 0.17 -0.80 117.35 130.02 1j3p s TYR 75 Ca 0.18 1.56 -0.24 0.00 -0.37 0.00 0.00 57.07 58.20 1j3p s TYR 75 Cb -0.16 -3.31 -0.08 0.00 -0.40 0.00 0.00 41.96 38.01 1j3p s TYR 75 CO 0.16 -1.33 1.12 -1.25 -1.57 0.00 0.00 175.55 172.68 1j3p s PRO 76 N -2.78 3.95 0.00 -1.71 0.04 -1.26 -4.71 135.00 128.53 1j3p s PRO 76 Ca 0.64 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1j3p s PRO 76 Cb -0.26 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1j3p s PRO 76 CO 0.31 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.40 1j3p n GLY 77 N 0.41 0.05 3.31 0.56 0.00 -1.26 -4.96 105.19 103.29 1j3p n GLY 77 Ca 0.06 -1.34 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 1j3p n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j3p s LYS 78 N -1.92 0.64 -0.54 1.61 1.02 -1.26 -0.91 119.74 118.38 1j3p s LYS 78 Ca 0.00 0.22 -0.09 0.00 0.02 0.00 0.00 55.97 56.13 1j3p s LYS 78 Cb 0.00 0.30 0.14 0.00 -0.52 0.00 0.00 37.83 37.75 1j3p s LYS 78 CO 0.00 -0.15 0.41 0.08 -0.92 0.00 0.00 175.35 174.77 1j3p s VAL 79 N -0.61 4.27 0.00 3.17 1.01 0.65 -4.83 120.40 124.07 1j3p s VAL 79 Ca -0.07 -2.08 0.00 0.00 0.00 0.00 0.00 61.98 59.83 1j3p s VAL 79 Cb -0.04 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1j3p s VAL 79 CO 0.03 -0.82 0.00 0.61 0.00 0.00 0.00 175.10 174.92 1j3p n GLY 80 N 4.54 1.69 0.04 4.51 0.00 -1.26 -2.24 105.19 112.46 1j3p n GLY 80 Ca -0.02 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.68 1j3p n GLY 80 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j3p n ASN 81 N 7.10 1.07 -4.57 1.61 0.23 -1.26 -5.01 115.26 114.43 1j3p n ASN 81 Ca 0.00 -1.67 -0.40 0.00 -0.53 0.00 0.00 54.58 51.98 1j3p n ASN 81 Cb 0.00 -0.04 -0.09 0.00 -2.08 0.00 0.00 39.78 37.57 1j3p n ASN 81 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1j3p s GLU 82 N -0.66 3.73 0.57 -3.83 2.12 -0.95 -0.77 118.70 118.90 1j3p s GLU 82 Ca 0.02 -0.20 -0.19 0.00 0.36 0.00 0.00 54.97 54.96 1j3p s GLU 82 Cb 0.02 -3.76 -0.06 0.00 0.26 0.00 0.00 34.13 30.59 1j3p s GLU 82 CO 0.00 -0.48 0.92 1.19 -0.54 0.00 0.00 175.26 176.35 1j3p n PHE 83 N 5.46 0.69 -1.75 5.30 3.72 -1.08 -0.25 117.46 129.55 1j3p n PHE 83 Ca -0.08 0.46 -0.42 0.00 -0.05 0.00 0.00 57.45 57.36 1j3p n PHE 83 Cb 0.50 -2.13 -0.01 0.00 -0.94 0.00 0.00 39.48 36.90 1j3p n PHE 83 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1j3p n PHE 84 N -1.50 2.85 -3.96 1.38 3.01 -0.09 -4.77 117.46 114.37 1j3p n PHE 84 Ca 0.13 0.35 -0.10 0.00 1.01 0.00 0.00 57.45 58.84 1j3p n PHE 84 Cb 0.46 -2.56 -0.07 0.00 -0.01 0.00 0.00 39.48 37.30 1j3p n PHE 84 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1j3p s MET 85 N -1.22 1.18 0.56 -1.08 0.23 -1.26 -1.93 119.30 115.78 1j3p s MET 85 Ca 0.59 -1.18 -0.06 0.00 -1.03 0.00 0.00 55.69 54.01 1j3p s MET 85 Cb -0.50 0.38 -0.01 0.00 -1.53 0.00 0.00 34.83 33.18 1j3p s MET 85 CO 0.55 -0.44 0.88 0.95 -2.03 0.00 0.00 175.02 174.94 1j3p s THR 86 N -3.97 4.13 0.31 3.16 -4.23 -0.81 -4.92 115.64 109.31 1j3p s THR 86 Ca 0.18 0.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.84 1j3p s THR 86 Cb 0.03 -3.62 0.17 0.00 1.34 0.00 0.00 72.50 70.42 1j3p s THR 86 CO 0.01 -0.64 1.87 0.11 -0.54 0.00 0.00 174.62 175.42 1j3p h LYS 87 N -0.07 0.70 -0.26 3.99 1.57 -1.95 -3.42 116.57 117.12 1j3p h LYS 87 Ca -0.46 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.22 1j3p h LYS 87 Cb 1.23 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1j3p h LYS 87 CO 0.61 0.65 -0.05 0.41 -0.57 0.00 0.00 179.45 180.49 1j3p n GLY 88 N -0.93 -1.56 0.00 3.86 0.00 -1.26 -4.95 105.19 100.35 1j3p n GLY 88 Ca 0.03 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1j3p n GLY 88 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1j3p n HIS 89 N -1.76 0.00 -4.23 1.61 1.44 -0.84 -4.75 115.22 106.70 1j3p n HIS 89 Ca -0.00 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.47 1j3p n HIS 89 Cb 0.05 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.09 1j3p n HIS 89 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1j3p s TYR 90 N -2.00 2.83 0.09 -1.40 1.51 -0.75 -1.95 117.35 115.68 1j3p s TYR 90 Ca 0.00 -0.17 -0.24 0.00 -1.01 0.00 0.00 57.07 55.65 1j3p s TYR 90 Cb 0.00 -1.30 -0.07 0.00 -0.11 0.00 0.00 41.96 40.48 1j3p s TYR 90 CO 0.00 0.56 0.73 -1.01 -1.11 0.00 0.00 175.55 174.72 1j3p s HIS 91 N -2.04 3.81 0.17 2.71 3.76 -1.26 -0.93 115.29 121.51 1j3p s HIS 91 Ca 0.30 1.49 -0.16 0.00 -0.15 0.00 0.00 55.06 56.53 1j3p s HIS 91 Cb -0.08 -2.74 0.11 0.00 1.11 0.00 0.00 32.58 30.99 1j3p s HIS 91 CO 0.20 0.42 1.66 0.77 -0.85 0.00 0.00 174.74 176.94 1j3p h SER 92 N 4.97 -0.40 -2.69 1.40 0.02 -1.24 0.37 113.55 115.98 1j3p h SER 92 Ca -0.46 0.13 -0.79 0.00 -0.84 0.00 0.00 61.79 59.83 1j3p h SER 92 Cb 1.21 0.27 -0.24 0.00 0.14 0.00 0.00 62.40 63.77 1j3p h SER 92 CO 0.68 -0.14 1.02 0.29 -1.14 0.00 0.00 176.83 177.53 1j3p n LYS 93 N -5.32 3.96 -0.16 3.45 5.02 -0.88 -4.87 118.16 119.36 1j3p n LYS 93 Ca 0.03 -4.25 0.21 0.00 -2.02 0.00 0.00 58.31 52.28 1j3p n LYS 93 Cb 0.23 -2.66 0.33 0.00 -0.02 0.00 0.00 35.03 32.91 1j3p n LYS 93 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1j3p n ILE 94 N 2.43 0.00 0.80 -0.18 3.06 0.12 -0.73 119.36 124.85 1j3p n ILE 94 Ca 0.29 0.98 0.08 0.00 -2.50 0.00 0.00 62.75 61.61 1j3p n ILE 94 Cb 0.36 -1.77 0.42 0.00 0.54 0.00 0.00 39.64 39.19 1j3p n ILE 94 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1j3p n ASP 95 N -2.80 0.00 -4.81 9.51 4.64 -1.26 0.61 116.55 122.44 1j3p n ASP 95 Ca 0.18 -0.02 -0.38 0.00 -1.38 0.00 0.00 54.79 53.19 1j3p n ASP 95 Cb 1.20 -0.25 -0.06 0.00 -1.04 0.00 0.00 41.12 40.97 1j3p n ASP 95 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1j3p s ARG 96 N -2.50 4.30 0.62 -0.67 1.81 0.09 -4.58 118.95 118.02 1j3p s ARG 96 Ca 0.17 0.88 0.09 0.00 -1.72 0.00 0.00 55.73 55.14 1j3p s ARG 96 Cb 0.11 -3.11 0.11 0.00 -0.45 0.00 0.00 34.95 31.61 1j3p s ARG 96 CO 0.24 0.53 0.85 0.00 -0.68 0.00 0.00 175.30 176.24 1j3p s ALA 97 N -1.28 4.63 0.08 2.13 0.00 -1.26 -4.25 121.76 121.80 1j3p s ALA 97 Ca 0.36 -2.18 -0.15 0.00 0.00 0.00 0.00 51.96 49.99 1j3p s ALA 97 Cb -0.19 -1.49 0.02 0.00 0.00 0.00 0.00 23.12 21.46 1j3p s ALA 97 CO 0.22 -1.03 0.34 -2.00 0.00 0.00 0.00 175.76 173.28 1j3p s GLU 98 N -4.77 0.92 -0.06 0.00 2.12 0.03 -4.29 118.70 112.65 1j3p s GLU 98 Ca 0.64 -0.62 0.01 0.00 0.36 0.00 0.00 54.97 55.35 1j3p s GLU 98 Cb -0.05 0.40 0.02 0.00 0.26 0.00 0.00 34.13 34.76 1j3p s GLU 98 CO 0.41 -0.32 -0.05 0.08 -0.54 0.00 0.00 175.26 174.83 1j3p s VAL 99 N -3.17 0.65 0.03 3.70 1.01 -0.68 0.02 120.40 121.95 1j3p s VAL 99 Ca -0.01 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.86 1j3p s VAL 99 Cb 0.01 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1j3p s VAL 99 CO -0.07 0.26 -0.12 -0.31 0.00 0.00 0.00 175.10 174.86 1j3p s TYR 100 N 1.08 2.74 -0.19 5.22 2.02 0.10 -0.95 117.35 127.37 1j3p s TYR 100 Ca -0.08 -0.14 -0.01 0.00 -0.37 0.00 0.00 57.07 56.46 1j3p s TYR 100 Cb -0.14 -1.53 0.05 0.00 -0.40 0.00 0.00 41.96 39.94 1j3p s TYR 100 CO -0.01 0.33 -0.00 0.12 -1.57 0.00 0.00 175.55 174.42 1j3p s PHE 101 N -1.00 1.45 0.14 2.71 5.36 0.59 0.07 117.98 127.31 1j3p s PHE 101 Ca 0.17 -1.06 -0.30 0.00 -0.96 0.00 0.00 56.93 54.78 1j3p s PHE 101 Cb -0.11 -1.19 -0.07 0.00 -0.34 0.00 0.00 43.02 41.31 1j3p s PHE 101 CO 0.07 -0.63 1.07 0.00 -1.46 0.00 0.00 175.22 174.28 1j3p s ALA 102 N 1.72 3.33 -0.04 11.12 0.00 0.20 -0.64 121.76 137.44 1j3p s ALA 102 Ca -0.01 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.72 1j3p s ALA 102 Cb -0.17 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1j3p s ALA 102 CO -0.07 -0.19 -0.01 1.28 0.00 0.00 0.00 175.76 176.77 1j3p n LEU 103 N 2.71 1.18 -3.71 0.00 4.77 0.25 -1.04 117.00 121.15 1j3p n LEU 103 Ca 0.03 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 1j3p n LEU 103 Cb 0.47 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 1j3p n LEU 103 CO 0.53 0.28 0.11 -0.75 -1.33 0.00 0.00 177.39 176.24 1j3p s LYS 104 N -2.09 0.75 1.98 3.23 2.20 -0.92 -4.68 119.74 120.21 1j3p s LYS 104 Ca -0.04 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 1j3p s LYS 104 Cb 0.01 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.67 1j3p s LYS 104 CO 0.13 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 1j3p n GLY 105 N 1.21 -1.24 3.22 5.54 0.00 -1.25 -0.78 105.19 111.89 1j3p n GLY 105 Ca -0.21 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.43 1j3p n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j3p s LYS 106 N 0.00 0.68 0.00 1.61 -2.85 -1.26 -3.85 119.74 114.06 1j3p s LYS 106 Ca 0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 55.97 54.65 1j3p s LYS 106 Cb 0.00 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.07 1j3p s LYS 106 CO 0.00 -0.19 0.00 0.41 0.10 0.00 0.00 175.35 175.67 1j3p n GLY 107 N 1.10 1.27 3.63 0.59 0.00 -0.48 -2.88 105.19 108.42 1j3p n GLY 107 Ca -0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.62 1j3p n GLY 107 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j3p s GLY 108 N 0.00 -0.35 -0.11 -0.02 0.00 -0.30 0.19 107.32 106.73 1j3p s GLY 108 Ca 0.00 0.69 0.01 0.00 0.00 0.00 0.00 44.72 45.42 1j3p s GLY 108 CO 0.00 0.20 -0.14 -0.29 0.00 0.00 0.00 173.10 172.87 1j3p s MET 109 N -2.99 3.15 -0.23 2.90 1.75 0.54 0.07 119.30 124.49 1j3p s MET 109 Ca 0.10 -0.69 -0.09 0.00 -1.25 0.00 0.00 55.69 53.75 1j3p s MET 109 Cb -0.00 -2.56 -0.04 0.00 2.84 0.00 0.00 34.83 35.07 1j3p s MET 109 CO -0.03 0.32 0.12 -1.17 -0.65 0.00 0.00 175.02 173.60 1j3p s LEU 110 N 0.07 3.87 0.14 4.11 2.96 0.98 -1.12 118.68 129.69 1j3p s LEU 110 Ca -0.06 0.02 0.09 0.00 -0.22 0.00 0.00 54.13 53.97 1j3p s LEU 110 Cb -0.15 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 1j3p s LEU 110 CO 0.04 0.06 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.16 1j3p s LEU 111 N 1.06 2.36 -0.01 -0.68 1.02 0.36 -0.52 118.68 122.28 1j3p s LEU 111 Ca 0.06 -0.77 -0.08 0.00 0.02 0.00 0.00 54.13 53.35 1j3p s LEU 111 Cb -0.14 -0.96 0.01 0.00 0.02 0.00 0.00 46.19 45.12 1j3p s LEU 111 CO 0.04 0.06 0.17 -1.58 0.02 0.00 0.00 176.35 175.05 1j3p s GLN 112 N -2.30 0.48 0.21 1.70 2.00 0.38 -0.67 119.66 121.46 1j3p s GLN 112 Ca 0.12 -0.31 0.08 0.00 -2.00 0.00 0.00 55.36 53.26 1j3p s GLN 112 Cb -0.08 0.20 -0.04 0.00 0.80 0.00 0.00 33.01 33.89 1j3p s GLN 112 CO 0.06 -0.12 0.00 0.95 -0.50 0.00 0.00 175.29 175.69 1j3p s THR 113 N -1.23 3.62 0.54 -0.34 -4.23 -0.15 0.16 115.64 114.02 1j3p s THR 113 Ca -0.13 -1.63 0.38 0.00 -1.18 0.00 0.00 61.69 59.13 1j3p s THR 113 Cb -0.07 -2.87 0.40 0.00 1.34 0.00 0.00 72.50 71.30 1j3p s THR 113 CO 0.02 -0.23 2.26 -0.65 -0.54 0.00 0.00 174.62 175.48 1j3p h PRO 114 N 2.33 0.00 -0.00 3.99 0.11 -1.90 -2.09 132.00 134.44 1j3p h PRO 114 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1j3p h PRO 114 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1j3p h PRO 114 CO 0.59 0.02 -0.03 0.39 -0.21 0.00 0.00 178.00 178.75 1j3p n GLU 115 N -3.32 1.05 0.00 1.05 1.02 -1.26 -4.92 120.64 114.26 1j3p n GLU 115 Ca -0.02 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 56.80 1j3p n GLU 115 Cb 0.13 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1j3p n GLU 115 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j3p n GLY 116 N 1.14 1.38 3.76 0.62 0.00 -0.79 -5.10 105.19 106.21 1j3p n GLY 116 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1j3p n GLY 116 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j3p s GLU 117 N -0.40 4.51 0.01 1.61 2.12 -1.26 -4.83 118.70 120.46 1j3p s GLU 117 Ca 0.00 1.97 0.03 0.00 0.36 0.00 0.00 54.97 57.33 1j3p s GLU 117 Cb 0.00 -3.15 -0.01 0.00 0.26 0.00 0.00 34.13 31.23 1j3p s GLU 117 CO 0.00 0.02 -0.09 0.00 -0.54 0.00 0.00 175.26 174.65 1j3p s ALA 118 N -0.99 0.77 0.03 6.30 0.00 -1.26 -0.97 121.76 125.64 1j3p s ALA 118 Ca 0.47 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.96 1j3p s ALA 118 Cb -0.35 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1j3p s ALA 118 CO 0.45 0.16 -0.06 1.03 0.00 0.00 0.00 175.76 177.34 1j3p s ARG 119 N -0.52 0.44 -0.16 0.00 1.81 0.15 -4.98 118.95 115.71 1j3p s ARG 119 Ca 0.02 -0.66 -0.00 0.00 -1.72 0.00 0.00 55.73 53.37 1j3p s ARG 119 Cb -0.05 -0.18 0.04 0.00 -0.45 0.00 0.00 34.95 34.31 1j3p s ARG 119 CO 0.00 0.02 -0.08 0.12 -0.68 0.00 0.00 175.30 174.69 1j3p s PHE 120 N -1.28 1.80 -0.23 -0.53 5.36 -1.26 -0.49 117.98 121.35 1j3p s PHE 120 Ca -0.11 -1.08 -0.05 0.00 -0.96 0.00 0.00 56.93 54.72 1j3p s PHE 120 Cb -0.09 -1.37 -0.02 0.00 -0.34 0.00 0.00 43.02 41.20 1j3p s PHE 120 CO -0.00 -0.62 0.01 0.42 -1.46 0.00 0.00 175.22 173.58 1j3p s ILE 121 N 1.60 3.85 0.40 3.12 -1.09 -0.28 -4.93 121.20 123.87 1j3p s ILE 121 Ca 0.02 -0.33 -0.24 0.00 -2.23 0.00 0.00 60.65 57.86 1j3p s ILE 121 Cb -0.14 -2.77 -0.09 0.00 -1.58 0.00 0.00 42.46 37.88 1j3p s ILE 121 CO -0.08 0.39 1.10 -1.61 -1.23 0.00 0.00 174.94 173.51 1j3p s GLU 122 N 1.48 4.09 -0.03 2.79 2.02 -1.26 -0.34 118.70 127.45 1j3p s GLU 122 Ca 0.06 1.66 0.02 0.00 0.02 0.00 0.00 54.97 56.73 1j3p s GLU 122 Cb -0.15 -2.59 0.01 0.00 0.10 0.00 0.00 34.13 31.49 1j3p s GLU 122 CO 0.00 -0.24 -0.08 -1.64 0.02 0.00 0.00 175.26 173.32 1j3p s MET 123 N -2.41 0.90 0.16 1.61 -1.94 0.13 -4.89 119.30 112.86 1j3p s MET 123 Ca 0.58 -0.26 -0.00 0.00 -1.71 0.00 0.00 55.69 54.29 1j3p s MET 123 Cb -0.26 -0.85 -0.04 0.00 2.01 0.00 0.00 34.83 35.69 1j3p s MET 123 CO 0.33 0.08 0.06 -1.83 -0.01 0.00 0.00 175.02 173.65 1j3p s GLU 124 N 0.29 1.05 -0.03 2.03 -1.05 -1.26 -1.38 118.70 118.35 1j3p s GLU 124 Ca -0.04 -1.52 -0.38 0.00 -0.15 0.00 0.00 54.97 52.87 1j3p s GLU 124 Cb -0.09 0.11 -0.17 0.00 -0.44 0.00 0.00 34.13 33.54 1j3p s GLU 124 CO 0.00 -0.27 1.40 -2.30 0.95 0.00 0.00 175.26 175.05 1j3p n PRO 125 N -0.19 0.95 0.00 -4.83 -0.02 -1.25 -0.65 135.00 129.01 1j3p n PRO 125 Ca -0.04 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1j3p n PRO 125 Cb 0.64 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 1j3p n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j3p n GLY 126 N 2.81 2.32 3.70 -1.23 0.00 -0.21 -4.97 105.19 107.60 1j3p n GLY 126 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1j3p n GLY 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j3p s THR 127 N -2.65 4.09 -0.20 2.61 2.01 0.17 -4.83 115.64 116.84 1j3p s THR 127 Ca 0.00 1.46 -0.05 0.00 0.31 0.00 0.00 61.69 63.41 1j3p s THR 127 Cb 0.00 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 1j3p s THR 127 CO 0.00 0.04 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.34 1j3p s ILE 128 N 1.78 3.87 -0.18 1.82 1.01 -1.26 -0.63 121.20 127.60 1j3p s ILE 128 Ca 0.58 -0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.85 1j3p s ILE 128 Cb -0.28 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 1j3p s ILE 128 CO 0.25 0.42 -0.03 -0.69 0.00 0.00 0.00 174.94 174.90 1j3p s VAL 129 N 1.09 3.76 -0.29 2.92 1.01 0.11 -4.94 120.40 124.06 1j3p s VAL 129 Ca 0.02 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 61.46 1j3p s VAL 129 Cb -0.14 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1j3p s VAL 129 CO 0.01 0.46 0.41 -0.47 0.00 0.00 0.00 175.10 175.51 1j3p s TYR 130 N 0.80 3.23 -0.40 5.22 5.04 -1.26 -0.72 117.35 129.26 1j3p s TYR 130 Ca -0.01 0.34 -0.14 0.00 -2.44 0.00 0.00 57.07 54.83 1j3p s TYR 130 Cb -0.14 -2.65 0.02 0.00 0.35 0.00 0.00 41.96 39.54 1j3p s TYR 130 CO 0.02 -0.31 0.28 0.08 -1.34 0.00 0.00 175.55 174.28 1j3p s VAL 131 N 2.14 5.07 0.90 3.14 1.01 0.10 -4.99 120.40 127.77 1j3p s VAL 131 Ca 0.16 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 1j3p s VAL 131 Cb -0.16 -3.84 0.13 0.00 0.00 0.00 0.00 36.38 32.52 1j3p s VAL 131 CO 0.11 -0.30 1.09 -2.84 0.00 0.00 0.00 175.10 173.15 1j3p s PRO 132 N 1.64 1.20 0.59 2.72 0.02 -1.26 -0.79 135.00 139.12 1j3p s PRO 132 Ca 0.04 0.87 -0.19 0.00 0.02 0.00 0.00 61.00 61.74 1j3p s PRO 132 Cb -0.19 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 1j3p s PRO 132 CO 0.09 -2.30 1.23 -2.14 -0.33 0.00 0.00 177.00 173.55 1j3p s PRO 133 N -4.90 2.95 0.00 5.54 0.02 -1.26 -2.95 135.00 134.41 1j3p s PRO 133 Ca 0.64 1.88 0.00 0.00 0.02 0.00 0.00 61.00 63.53 1j3p s PRO 133 Cb -0.18 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1j3p s PRO 133 CO 0.57 -1.23 0.00 0.66 -0.33 0.00 0.00 177.00 176.67 1j3p n TYR 134 N -1.56 0.00 -3.69 6.54 4.01 0.20 -4.96 117.16 117.69 1j3p n TYR 134 Ca 0.14 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.52 1j3p n TYR 134 Cb 0.49 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.45 1j3p n TYR 134 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1j3p s TRP 135 N -3.24 3.49 0.37 -0.72 0.52 -1.15 -4.49 118.94 113.71 1j3p s TRP 135 Ca 0.00 0.50 -0.17 0.00 0.02 0.00 0.00 56.10 56.45 1j3p s TRP 135 Cb 0.00 -2.17 -0.10 0.00 -1.15 0.00 0.00 33.47 30.05 1j3p s TRP 135 CO 0.00 0.40 0.82 0.00 0.02 0.00 0.00 176.95 178.19 1j3p s ALA 136 N -0.02 3.21 0.04 0.98 0.00 0.12 -4.77 121.76 121.33 1j3p s ALA 136 Ca 0.13 0.17 -0.15 0.00 0.00 0.00 0.00 51.96 52.12 1j3p s ALA 136 Cb -0.12 -2.92 0.02 0.00 0.00 0.00 0.00 23.12 20.10 1j3p s ALA 136 CO 0.02 0.23 0.32 -3.38 0.00 0.00 0.00 175.76 172.95 1j3p s HIS 137 N -2.09 -0.14 -0.03 0.00 -3.43 -0.82 -0.47 115.29 108.30 1j3p s HIS 137 Ca 0.57 0.04 -0.08 0.00 -0.80 0.00 0.00 55.06 54.79 1j3p s HIS 137 Cb -0.10 0.12 0.01 0.00 -1.43 0.00 0.00 32.58 31.18 1j3p s HIS 137 CO 0.17 -0.51 0.19 0.50 -2.00 0.00 0.00 174.74 173.09 1j3p s ARG 138 N -2.44 0.41 -0.07 -0.38 3.52 0.33 -1.99 118.95 118.34 1j3p s ARG 138 Ca -0.06 -0.11 -0.03 0.00 -0.13 0.00 0.00 55.73 55.41 1j3p s ARG 138 Cb -0.01 0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.52 1j3p s ARG 138 CO -0.03 -0.09 0.07 0.99 -0.81 0.00 0.00 175.30 175.44 1j3p s THR 139 N -0.80 4.83 -0.02 4.11 2.01 -1.26 -0.01 115.64 124.50 1j3p s THR 139 Ca -0.09 -0.17 0.07 0.00 0.31 0.00 0.00 61.69 61.81 1j3p s THR 139 Cb -0.05 -3.12 -0.02 0.00 0.01 0.00 0.00 72.50 69.32 1j3p s THR 139 CO 0.01 0.52 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.61 1j3p s ILE 140 N -1.04 1.72 -0.38 1.82 -1.09 0.11 -1.92 121.20 120.43 1j3p s ILE 140 Ca 0.17 -0.93 -0.11 0.00 -2.23 0.00 0.00 60.65 57.56 1j3p s ILE 140 Cb -0.12 -1.44 0.03 0.00 -1.58 0.00 0.00 42.46 39.36 1j3p s ILE 140 CO 0.07 0.49 0.21 0.21 -1.23 0.00 0.00 174.94 174.69 1j3p s ASN 141 N -0.48 5.73 0.00 3.58 3.84 -0.82 -1.15 114.94 125.65 1j3p s ASN 141 Ca 0.07 -1.02 0.23 0.00 0.21 0.00 0.00 52.86 52.35 1j3p s ASN 141 Cb -0.09 -2.02 0.43 0.00 -0.55 0.00 0.00 41.25 39.02 1j3p s ASN 141 CO -0.01 -0.39 1.40 0.35 -2.79 0.00 0.00 177.10 175.66 1j3p n THR 142 N 4.99 0.37 -3.59 -5.21 -2.24 -1.14 -4.18 114.28 103.29 1j3p n THR 142 Ca -0.12 -0.65 -0.03 0.00 -2.27 0.00 0.00 64.05 60.99 1j3p n THR 142 Cb 0.46 1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.69 1j3p n THR 142 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3p n GLY 143 N 1.44 3.12 1.07 3.38 0.00 -1.22 -4.98 105.19 107.99 1j3p n GLY 143 Ca 0.18 -2.19 0.10 0.00 0.00 0.00 0.00 46.02 44.11 1j3p n GLY 143 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j3p n ASP 144 N -1.91 3.46 -4.47 1.61 5.68 -1.26 -4.44 116.55 115.21 1j3p n ASP 144 Ca -0.00 -1.97 -0.23 0.00 -0.50 0.00 0.00 54.79 52.09 1j3p n ASP 144 Cb 0.07 -0.33 -0.10 0.00 -1.14 0.00 0.00 41.12 39.61 1j3p n ASP 144 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1j3p s LYS 145 N -1.12 1.66 0.40 0.11 -0.14 -1.26 -4.80 119.74 114.58 1j3p s LYS 145 Ca 0.38 -1.82 -0.27 0.00 -1.36 0.00 0.00 55.97 52.89 1j3p s LYS 145 Cb 0.20 -1.48 -0.10 0.00 -1.68 0.00 0.00 37.83 34.77 1j3p s LYS 145 CO 0.27 0.14 1.45 -2.30 -0.76 0.00 0.00 175.35 174.16 1j3p n PRO 146 N -0.65 2.50 -3.74 -1.68 -0.02 -1.26 -4.20 135.00 125.94 1j3p n PRO 146 Ca -0.05 0.88 -0.37 0.00 -2.02 0.00 0.00 63.50 61.93 1j3p n PRO 146 Cb 0.63 -2.63 -0.12 0.00 -0.02 0.00 0.00 33.50 31.36 1j3p n PRO 146 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1j3p s PHE 147 N -1.14 3.15 -0.11 6.00 5.36 0.02 -3.74 117.98 127.52 1j3p s PHE 147 Ca 0.56 -0.89 0.01 0.00 -0.96 0.00 0.00 56.93 55.65 1j3p s PHE 147 Cb -0.48 -2.27 -0.02 0.00 -0.34 0.00 0.00 43.02 39.91 1j3p s PHE 147 CO 0.62 -0.55 -0.14 0.42 -1.46 0.00 0.00 175.22 174.11 1j3p s ILE 148 N 1.52 3.01 0.04 3.12 1.01 0.04 -0.37 121.20 129.57 1j3p s ILE 148 Ca 0.03 -0.69 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 1j3p s ILE 148 Cb -0.17 -2.24 0.01 0.00 0.01 0.00 0.00 42.46 40.07 1j3p s ILE 148 CO 0.03 0.54 0.26 0.72 0.00 0.00 0.00 174.94 176.49 1j3p s PHE 149 N 0.10 -0.05 -0.16 3.97 -0.12 -0.88 -0.58 117.98 120.26 1j3p s PHE 149 Ca -0.06 -0.11 -0.05 0.00 -0.05 0.00 0.00 56.93 56.66 1j3p s PHE 149 Cb -0.15 0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 42.26 1j3p s PHE 149 CO 0.05 -0.47 0.01 -1.17 -0.05 0.00 0.00 175.22 173.59 1j3p s LEU 150 N -2.02 3.52 -0.06 -1.99 2.96 0.18 -0.86 118.68 120.42 1j3p s LEU 150 Ca -0.06 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 1j3p s LEU 150 Cb -0.01 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1j3p s LEU 150 CO -0.03 0.18 -0.13 0.00 -1.32 0.00 0.00 176.35 175.05 1j3p s ALA 151 N 0.31 2.73 -0.08 5.97 0.00 0.15 -0.30 121.76 130.54 1j3p s ALA 151 Ca -0.00 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1j3p s ALA 151 Cb -0.13 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 21.96 1j3p s ALA 151 CO 0.02 0.54 -0.15 -0.51 0.00 0.00 0.00 175.76 175.66 1j3p s LEU 152 N -0.68 1.72 0.00 0.00 1.02 -0.12 -1.08 118.68 119.54 1j3p s LEU 152 Ca 0.10 -0.38 -0.17 0.00 0.02 0.00 0.00 54.13 53.71 1j3p s LEU 152 Cb -0.11 -0.99 0.03 0.00 0.02 0.00 0.00 46.19 45.14 1j3p s LEU 152 CO 0.01 0.05 0.36 -0.72 0.02 0.00 0.00 176.35 176.07 1j3p s TYR 153 N 0.73 -0.23 0.26 0.29 -0.85 -0.68 -1.69 117.35 115.18 1j3p s TYR 153 Ca -0.13 0.30 -0.30 0.00 -0.52 0.00 0.00 57.07 56.43 1j3p s TYR 153 Cb -0.16 0.15 -0.14 0.00 0.38 0.00 0.00 41.96 42.19 1j3p s TYR 153 CO 0.03 -0.46 1.12 -2.30 -1.52 0.00 0.00 175.55 172.42 1j3p n PRO 154 N 1.01 1.46 0.29 -3.49 -0.02 -1.26 -0.92 135.00 132.07 1j3p n PRO 154 Ca -0.20 0.52 0.16 0.00 -2.02 0.00 0.00 63.50 61.96 1j3p n PRO 154 Cb 0.57 -1.97 0.89 0.00 -0.02 0.00 0.00 33.50 32.98 1j3p n PRO 154 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j3p h ALA 155 N 2.64 1.22 -0.50 3.55 0.00 -1.45 -2.46 119.26 122.26 1j3p h ALA 155 Ca -0.42 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 1j3p h ALA 155 Cb 1.33 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.00 1j3p h ALA 155 CO 0.65 0.06 0.12 -0.40 0.00 0.00 0.00 179.25 179.68 1j3p n ASP 156 N -3.46 3.62 -0.01 0.00 5.75 -1.26 -4.27 116.55 116.92 1j3p n ASP 156 Ca -0.02 -3.41 -0.14 0.00 -0.01 0.00 0.00 54.79 51.22 1j3p n ASP 156 Cb 0.17 -0.66 -0.02 0.00 -1.03 0.00 0.00 41.12 39.58 1j3p n ASP 156 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j3p h ALA 157 N 1.65 0.48 -1.05 2.12 0.00 -1.79 -3.41 119.26 117.26 1j3p h ALA 157 Ca 0.22 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1j3p h ALA 157 Cb 1.91 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1j3p h ALA 157 CO 0.51 0.70 -0.04 0.41 0.00 0.00 0.00 179.25 180.84 1j3p n GLY 158 N 0.52 -1.63 3.25 0.00 0.00 -1.26 -1.18 105.19 104.89 1j3p n GLY 158 Ca -0.05 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 1j3p n GLY 158 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1j3p s HIS 159 N -0.25 1.26 -0.47 1.61 -3.43 -1.26 -3.95 115.29 108.80 1j3p s HIS 159 Ca 0.00 -0.89 0.07 0.00 -0.80 0.00 0.00 55.06 53.44 1j3p s HIS 159 Cb 0.00 -0.70 0.18 0.00 -1.43 0.00 0.00 32.58 30.64 1j3p s HIS 159 CO 0.00 -0.06 0.67 0.34 -2.00 0.00 0.00 174.74 173.69 1j3p s ASP 160 N -3.18 -1.35 -0.04 7.38 2.15 -0.11 -3.78 116.67 117.73 1j3p s ASP 160 Ca 0.21 -1.41 0.12 0.00 0.43 0.00 0.00 52.55 51.90 1j3p s ASP 160 Cb 0.05 1.84 -0.23 0.00 -0.30 0.00 0.00 42.92 44.27 1j3p s ASP 160 CO 0.03 -0.10 0.66 -1.22 -0.17 0.00 0.00 175.17 174.36 1j3p n TYR 161 N 3.52 1.02 -0.25 -5.34 4.02 -1.26 -1.81 117.16 117.06 1j3p n TYR 161 Ca 0.15 0.36 -0.07 0.00 -0.01 0.00 0.00 57.90 58.33 1j3p n TYR 161 Cb 0.56 -1.19 -0.03 0.00 -0.02 0.00 0.00 39.34 38.66 1j3p n TYR 161 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1j3p h GLY 162 N 3.43 -0.41 -0.40 2.72 0.00 -1.95 1.49 103.07 107.94 1j3p h GLY 162 Ca -0.29 0.58 0.12 0.00 0.00 0.00 0.00 47.33 47.74 1j3p h GLY 162 CO 0.08 -0.15 -0.25 -0.84 0.00 0.00 0.00 176.54 175.38 1j3p h THR 163 N -0.17 0.24 -0.18 4.70 2.02 -1.99 0.16 112.91 117.68 1j3p h THR 163 Ca 0.20 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.21 1j3p h THR 163 Cb 0.55 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1j3p h THR 163 CO -0.75 0.00 -0.60 0.40 0.37 0.00 0.00 175.52 174.94 1j3p h ILE 164 N -0.08 1.32 -0.61 3.11 1.08 -1.34 0.33 117.51 121.32 1j3p h ILE 164 Ca 0.29 -1.85 0.13 0.00 -0.39 0.00 0.00 64.86 63.03 1j3p h ILE 164 Cb 0.53 1.82 -0.03 0.00 -3.07 0.00 0.00 36.82 36.06 1j3p h ILE 164 CO -0.70 0.58 0.41 0.00 -0.69 0.00 0.00 178.15 177.76 1j3p h ALA 165 N 0.89 2.20 -1.22 1.87 0.00 0.46 -1.33 119.26 122.13 1j3p h ALA 165 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1j3p h ALA 165 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1j3p h ALA 165 CO 0.11 -0.36 0.00 -1.91 0.00 0.00 0.00 179.25 177.09 1j3p n GLU 166 N -4.44 0.00 0.39 0.00 4.07 0.26 -4.81 120.64 116.10 1j3p n GLU 166 Ca 0.11 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 57.03 1j3p n GLU 166 Cb 0.49 -0.27 -0.09 0.00 -0.06 0.00 0.00 31.44 31.51 1j3p n GLU 166 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1j3p h LYS 167 N 0.00 -0.95 0.00 5.31 1.79 -0.48 -3.49 116.57 118.76 1j3p h LYS 167 Ca 0.00 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1j3p h LYS 167 Cb 0.00 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1j3p h LYS 167 CO 0.00 -0.61 0.00 0.41 -1.08 0.00 0.00 179.45 178.17 1j3p n GLY 168 N -1.27 -2.09 3.88 3.86 0.00 -0.50 -4.91 105.19 104.16 1j3p n GLY 168 Ca -0.14 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 1j3p n GLY 168 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j3p s PHE 169 N 0.00 3.43 -1.59 1.61 0.08 -1.26 -4.82 117.98 115.43 1j3p s PHE 169 Ca 0.00 0.92 0.26 0.00 0.12 0.00 0.00 56.93 58.23 1j3p s PHE 169 Cb 0.00 -2.31 1.38 0.00 -0.57 0.00 0.00 43.02 41.53 1j3p s PHE 169 CO 0.00 0.16 1.89 -1.13 -0.10 0.00 0.00 175.22 176.04 1j3p n SER 170 N -0.51 0.00 -4.15 1.36 3.41 -1.26 -4.70 113.62 107.77 1j3p n SER 170 Ca 0.01 -0.29 -0.12 0.00 -0.26 0.00 0.00 58.87 58.21 1j3p n SER 170 Cb 0.53 -0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 64.17 1j3p n SER 170 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1j3p s LYS 171 N -2.41 0.76 0.05 4.33 -0.14 -1.26 -1.01 119.74 120.06 1j3p s LYS 171 Ca 0.29 -1.14 0.06 0.00 -1.36 0.00 0.00 55.97 53.82 1j3p s LYS 171 Cb 0.18 -0.32 -0.02 0.00 -1.68 0.00 0.00 37.83 35.98 1j3p s LYS 171 CO 0.37 0.03 -0.18 0.96 -0.76 0.00 0.00 175.35 175.77 1j3p s ILE 172 N -2.74 1.41 -0.27 2.17 -4.36 0.45 -4.72 121.20 113.14 1j3p s ILE 172 Ca 0.05 -1.15 -0.04 0.00 -0.26 0.00 0.00 60.65 59.25 1j3p s ILE 172 Cb -0.01 -1.26 0.02 0.00 1.25 0.00 0.00 42.46 42.46 1j3p s ILE 172 CO -0.02 0.08 0.01 -0.69 0.24 0.00 0.00 174.94 174.55 1j3p s VAL 173 N -0.87 3.36 0.44 8.37 1.01 -1.26 -1.80 120.40 129.64 1j3p s VAL 173 Ca 0.05 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1j3p s VAL 173 Cb -0.09 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 1j3p s VAL 173 CO 0.02 0.11 0.08 0.68 0.00 0.00 0.00 175.10 175.99 1j3p s VAL 174 N 1.39 0.88 -0.15 2.92 -7.23 -0.43 -2.63 120.40 115.14 1j3p s VAL 174 Ca 0.01 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.17 1j3p s VAL 174 Cb -0.17 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 1j3p s VAL 174 CO -0.01 0.00 -0.12 -0.70 -0.31 0.00 0.00 175.10 173.96 1j3p s GLU 175 N -3.78 3.35 -0.52 4.82 2.12 0.05 -1.24 118.70 123.50 1j3p s GLU 175 Ca 0.19 -0.69 0.05 0.00 0.36 0.00 0.00 54.97 54.89 1j3p s GLU 175 Cb 0.03 -2.70 0.20 0.00 0.26 0.00 0.00 34.13 31.92 1j3p s GLU 175 CO 0.11 0.10 0.48 0.39 -0.54 0.00 0.00 175.26 175.79 1j3p n GLU 176 N 3.87 1.08 -0.16 4.30 1.02 -1.26 -4.80 120.64 124.70 1j3p n GLU 176 Ca -0.18 -3.76 0.00 0.00 -0.02 0.00 0.00 57.16 53.20 1j3p n GLU 176 Cb 0.52 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1j3p n GLU 176 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1j3p n ASN 177 N 2.01 0.00 -3.58 1.62 6.94 -1.26 -4.70 115.26 116.30 1j3p n ASN 177 Ca 0.25 0.00 -0.11 0.00 -0.02 0.00 0.00 54.58 54.71 1j3p n ASN 177 Cb 0.45 -1.38 -0.03 0.00 -2.36 0.00 0.00 39.78 36.46 1j3p n ASN 177 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1j3p s GLY 178 N -1.42 -0.40 -0.07 4.83 0.00 -1.26 -5.12 107.32 103.88 1j3p s GLY 178 Ca 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 44.72 44.59 1j3p s GLY 178 CO 0.00 -0.01 1.67 1.25 0.00 0.00 0.00 173.10 176.01 1j3p s LYS 179 N -3.81 4.12 -0.04 2.90 2.20 -1.26 -4.41 119.74 119.44 1j3p s LYS 179 Ca 0.04 2.14 0.04 0.00 -0.36 0.00 0.00 55.97 57.83 1j3p s LYS 179 Cb -0.02 -4.01 -0.00 0.00 -1.51 0.00 0.00 37.83 32.30 1j3p s LYS 179 CO -0.07 -0.93 -0.15 0.08 -0.36 0.00 0.00 175.35 173.92 1j3p s VAL 180 N 4.27 1.28 -0.29 4.02 1.01 -0.37 -4.95 120.40 125.37 1j3p s VAL 180 Ca 0.74 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 1j3p s VAL 180 Cb -0.33 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 34.97 1j3p s VAL 180 CO 0.30 0.37 0.03 -0.69 0.00 0.00 0.00 175.10 175.12 1j3p s VAL 181 N 0.07 3.51 0.25 2.92 1.01 -1.26 -1.31 120.40 125.58 1j3p s VAL 181 Ca -0.04 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.07 1j3p s VAL 181 Cb -0.11 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1j3p s VAL 181 CO 0.02 0.05 -0.08 0.54 0.00 0.00 0.00 175.10 175.63 1j3p s VAL 182 N 1.41 1.58 0.91 2.92 0.11 -0.75 -4.97 120.40 121.61 1j3p s VAL 182 Ca 0.00 -2.14 -0.12 0.00 -2.93 0.00 0.00 61.98 56.80 1j3p s VAL 182 Cb -0.18 -2.31 0.07 0.00 -1.53 0.00 0.00 36.38 32.44 1j3p s VAL 182 CO 0.00 -0.39 0.73 0.29 -3.33 0.00 0.00 175.10 172.40 1j3p n LYS 183 N -0.50 -0.28 -4.32 1.54 4.01 -1.26 -0.41 118.16 116.94 1j3p n LYS 183 Ca -0.06 -0.03 -0.29 0.00 -0.51 0.00 0.00 58.31 57.43 1j3p n LYS 183 Cb 0.63 -2.08 -0.11 0.00 -0.51 0.00 0.00 35.03 32.95 1j3p n LYS 183 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1j3p s ASP 184 N -2.20 3.88 0.00 4.39 2.15 -0.18 -4.27 116.67 120.44 1j3p s ASP 184 Ca 0.62 -0.61 0.00 0.00 0.43 0.00 0.00 52.55 52.99 1j3p s ASP 184 Cb -0.23 -0.53 0.00 0.00 -0.30 0.00 0.00 42.92 41.86 1j3p s ASP 184 CO 0.62 0.16 0.49 0.59 -0.17 0.00 0.00 175.17 176.86