#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4q n THR 15 N 0.00 0.00 -0.03 0.00 -1.04 -1.26 -4.87 114.28 107.07 1j4q n THR 15 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1j4q n THR 15 Cb 0.00 -1.06 -0.09 0.00 -1.82 0.00 0.00 70.33 67.36 1j4q n THR 15 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1j4q h GLN 16 N 0.17 0.23 0.15 -2.82 -0.00 -2.06 -1.76 115.11 109.03 1j4q h GLN 16 Ca -0.12 -0.17 -0.01 0.00 -0.00 0.00 0.00 58.65 58.35 1j4q h GLN 16 Cb 0.82 0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.33 1j4q h GLN 16 CO 0.18 0.79 -0.07 -0.09 0.00 0.00 0.00 178.83 179.64 1j4q h ARG 17 N -0.28 -0.20 -0.67 1.69 9.65 -2.01 -2.93 114.38 119.63 1j4q h ARG 17 Ca -0.01 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 58.96 1j4q h ARG 17 Cb 0.81 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.39 1j4q h ARG 17 CO 0.04 0.14 0.44 0.74 2.80 0.00 0.00 179.97 184.13 1j4q h PHE 18 N -0.56 0.66 -0.63 2.20 0.04 -1.97 0.38 116.94 117.06 1j4q h PHE 18 Ca -0.02 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.82 1j4q h PHE 18 Cb 0.43 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.32 1j4q h PHE 18 CO 0.04 0.35 0.42 -0.07 -0.60 0.00 0.00 178.31 178.44 1j4q h LEU 19 N 0.65 0.58 -0.13 1.54 3.38 -1.19 0.61 115.31 120.75 1j4q h LEU 19 Ca 0.29 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1j4q h LEU 19 Cb 0.31 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1j4q h LEU 19 CO -0.09 0.39 0.04 0.40 0.09 0.00 0.00 178.44 179.26 1j4q h ILE 20 N 0.67 1.19 -0.13 1.22 2.04 -0.74 -1.82 117.51 119.94 1j4q h ILE 20 Ca 0.27 -0.59 -0.12 0.00 1.00 0.00 0.00 64.86 65.42 1j4q h ILE 20 Cb 0.21 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1j4q h ILE 20 CO -0.08 0.18 -0.45 -0.08 0.00 0.00 0.00 178.15 177.72 1j4q h GLU 21 N 0.02 0.32 -0.24 2.37 4.81 -1.11 -2.40 114.58 118.36 1j4q h GLU 21 Ca 0.04 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1j4q h GLU 21 Cb 0.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1j4q h GLU 21 CO -0.00 0.71 0.05 0.87 -0.73 0.00 0.00 179.01 179.91 1j4q h LYS 22 N 0.26 0.38 -0.03 1.92 1.79 0.38 -0.15 116.57 121.12 1j4q h LYS 22 Ca 0.02 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 1j4q h LYS 22 Cb 0.89 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 1j4q h LYS 22 CO 0.07 0.50 -0.06 0.27 -1.08 0.00 0.00 179.45 179.15 1j4q h PHE 23 N 0.20 0.13 -0.85 -1.35 -5.15 -1.34 -0.34 116.94 108.25 1j4q h PHE 23 Ca 0.07 -0.05 0.05 0.00 -0.20 0.00 0.00 57.97 57.85 1j4q h PHE 23 Cb 0.29 -0.02 -0.05 0.00 0.22 0.00 0.00 35.95 36.38 1j4q h PHE 23 CO 0.01 0.64 0.56 0.77 -2.00 0.00 0.00 178.31 178.29 1j4q h SER 24 N -0.42 0.87 0.00 -0.68 0.02 -1.48 -3.41 113.55 108.45 1j4q h SER 24 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1j4q h SER 24 Cb 0.63 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1j4q h SER 24 CO 0.01 0.58 0.00 1.67 -1.14 0.00 0.00 176.83 177.95 1j4q n GLN 25 N -4.47 0.00 -1.36 3.45 -0.06 -0.08 -5.09 117.38 109.78 1j4q n GLN 25 Ca 0.12 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.78 1j4q n GLN 25 Cb 0.16 0.00 0.10 0.00 -4.06 0.00 0.00 30.24 26.44 1j4q n GLN 25 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1j4q s GLU 26 N 0.00 2.04 -0.64 3.69 2.12 -0.14 -4.53 118.70 121.24 1j4q s GLU 26 Ca 0.00 1.71 -0.27 0.00 0.36 0.00 0.00 54.97 56.77 1j4q s GLU 26 Cb 0.00 -1.83 -0.00 0.00 0.26 0.00 0.00 34.13 32.56 1j4q s GLU 26 CO 0.00 -1.90 1.67 -1.14 -0.54 0.00 0.00 175.26 173.35 1j4q s GLN 27 N -4.02 2.83 -0.08 4.30 0.74 -1.26 -4.97 119.66 117.19 1j4q s GLN 27 Ca 0.73 0.37 -0.03 0.00 0.05 0.00 0.00 55.36 56.48 1j4q s GLN 27 Cb -0.28 -4.31 -0.03 0.00 1.10 0.00 0.00 33.01 29.48 1j4q s GLN 27 CO 0.47 -2.52 0.03 0.42 -0.55 0.00 0.00 175.29 173.14 1j4q s ILE 28 N 7.95 4.54 0.00 -2.34 -1.09 -1.26 -4.57 121.20 124.44 1j4q s ILE 28 Ca 0.57 -0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.81 1j4q s ILE 28 Cb -0.11 -2.94 0.00 0.00 -1.58 0.00 0.00 42.46 37.83 1j4q s ILE 28 CO 0.19 0.59 0.00 0.61 -1.23 0.00 0.00 174.94 175.10 1j4q n GLY 29 N 2.03 0.61 0.40 6.18 0.00 -1.26 -4.77 105.19 108.38 1j4q n GLY 29 Ca -0.18 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.02 1j4q n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1j4q h GLU 30 N 0.00 0.45 0.00 1.61 4.81 -1.99 -3.36 114.58 116.10 1j4q h GLU 30 Ca 0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1j4q h GLU 30 Cb 0.00 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1j4q h GLU 30 CO 0.00 0.30 -0.04 0.09 -0.73 0.00 0.00 179.01 178.63 1j4q n ASN 31 N -4.56 -0.16 -4.62 1.04 3.02 -1.26 -4.87 115.26 103.84 1j4q n ASN 31 Ca 0.21 -0.54 -0.40 0.00 -0.03 0.00 0.00 54.58 53.81 1j4q n ASN 31 Cb 0.71 0.06 -0.07 0.00 -0.61 0.00 0.00 39.78 39.87 1j4q n ASN 31 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1j4q s ILE 32 N 0.01 5.03 -0.04 2.41 -1.09 -1.26 -0.41 121.20 125.85 1j4q s ILE 32 Ca 0.00 1.02 -0.02 0.00 -2.23 0.00 0.00 60.65 59.43 1j4q s ILE 32 Cb 0.02 -3.89 -0.01 0.00 -1.58 0.00 0.00 42.46 37.01 1j4q s ILE 32 CO -0.01 0.06 -0.03 0.58 -1.23 0.00 0.00 174.94 174.31 1j4q h VAL 33 N 5.39 0.00 -3.63 2.92 2.07 -1.68 -3.41 116.25 117.91 1j4q h VAL 33 Ca -0.28 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 1j4q h VAL 33 Cb 1.13 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.75 1j4q h VAL 33 CO 0.75 0.00 -0.34 0.00 0.02 0.00 0.00 177.57 178.00 1j4q s ARG 35 N -3.24 2.29 -0.23 0.00 3.00 0.25 -0.85 118.95 120.16 1j4q s ARG 35 Ca 0.00 -0.92 -0.07 0.00 -1.00 0.00 0.00 55.73 53.75 1j4q s ARG 35 Cb 0.02 -2.09 -0.03 0.00 0.00 0.00 0.00 34.95 32.85 1j4q s ARG 35 CO -0.08 0.49 0.05 0.14 0.00 0.00 0.00 175.30 175.91 1j4q s VAL 36 N -0.44 4.29 -0.11 7.11 -7.23 -1.08 0.15 120.40 123.09 1j4q s VAL 36 Ca 0.05 -0.19 0.01 0.00 -1.81 0.00 0.00 61.98 60.04 1j4q s VAL 36 Cb -0.11 -2.98 0.02 0.00 0.56 0.00 0.00 36.38 33.87 1j4q s VAL 36 CO 0.01 0.38 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.42 1j4q s ILE 37 N 1.27 1.30 -0.13 -0.62 1.01 0.23 -2.42 121.20 121.85 1j4q s ILE 37 Ca 0.04 -0.51 -0.28 0.00 0.00 0.00 0.00 60.65 59.90 1j4q s ILE 37 Cb -0.15 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 1j4q s ILE 37 CO 0.03 0.41 0.96 0.00 0.00 0.00 0.00 174.94 176.33 1j4q n THR 39 N 4.62 1.12 1.73 0.00 -2.24 -1.23 -3.94 114.28 114.34 1j4q n THR 39 Ca 0.08 -0.70 0.15 0.00 -2.27 0.00 0.00 64.05 61.31 1j4q n THR 39 Cb 0.49 -0.65 0.86 0.00 -2.10 0.00 0.00 70.33 68.92 1j4q n THR 39 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j4q n THR 40 N -2.82 0.00 -2.67 4.28 -2.24 -1.26 -4.95 114.28 104.62 1j4q n THR 40 Ca -0.12 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.63 1j4q n THR 40 Cb 0.86 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1j4q n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j4q n GLY 41 N 1.11 -1.12 0.51 3.38 0.00 -1.25 -4.99 105.19 102.82 1j4q n GLY 41 Ca 0.19 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.87 1j4q n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j4q n GLN 42 N -1.00 0.00 -4.92 1.61 6.02 -1.26 -5.11 117.38 112.71 1j4q n GLN 42 Ca 0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.72 1j4q n GLN 42 Cb 0.44 -0.27 -0.13 0.00 1.02 0.00 0.00 30.24 31.29 1j4q n GLN 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1j4q s ILE 43 N -1.26 2.85 0.37 5.09 1.01 -1.26 -4.53 121.20 123.47 1j4q s ILE 43 Ca 0.00 -0.86 -0.26 0.00 0.00 0.00 0.00 60.65 59.53 1j4q s ILE 43 Cb 0.00 -2.11 -0.09 0.00 0.01 0.00 0.00 42.46 40.27 1j4q s ILE 43 CO 0.00 0.55 1.12 -2.16 0.00 0.00 0.00 174.94 174.45 1j4q s PRO 44 N -0.83 4.21 0.46 2.79 0.04 -1.26 -4.25 135.00 136.15 1j4q s PRO 44 Ca 0.12 1.75 -0.25 0.00 0.04 0.00 0.00 61.00 62.66 1j4q s PRO 44 Cb -0.10 -2.75 -0.08 0.00 0.04 0.00 0.00 34.50 31.60 1j4q s PRO 44 CO 0.01 -0.16 1.32 -0.89 0.04 0.00 0.00 177.00 177.33 1j4q n ILE 45 N 0.27 2.86 -4.22 0.56 5.41 -1.26 -4.87 119.36 118.12 1j4q n ILE 45 Ca 0.03 -0.50 -0.12 0.00 1.00 0.00 0.00 62.75 63.16 1j4q n ILE 45 Cb 0.47 -1.65 -0.10 0.00 -0.71 0.00 0.00 39.64 37.64 1j4q n ILE 45 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1j4q s ARG 46 N -2.40 1.04 -0.18 0.38 3.52 -1.02 -5.05 118.95 115.24 1j4q s ARG 46 Ca 0.63 -1.49 0.01 0.00 -0.13 0.00 0.00 55.73 54.75 1j4q s ARG 46 Cb -0.47 -0.16 0.02 0.00 -1.56 0.00 0.00 34.95 32.78 1j4q s ARG 46 CO 0.56 -0.14 -0.19 -0.51 -0.81 0.00 0.00 175.30 174.20 1j4q s ASP 47 N -3.13 3.21 -0.03 -2.12 1.11 -1.26 -2.65 116.67 111.79 1j4q s ASP 47 Ca 0.23 -0.68 -0.16 0.00 0.18 0.00 0.00 52.55 52.12 1j4q s ASP 47 Cb 0.06 -1.49 -0.05 0.00 1.07 0.00 0.00 42.92 42.51 1j4q s ASP 47 CO 0.03 -0.01 0.43 -0.76 1.18 0.00 0.00 175.17 176.04 1j4q s LEU 48 N 1.28 4.42 0.08 1.23 1.43 -0.03 -5.03 118.68 122.07 1j4q s LEU 48 Ca 0.04 0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 53.96 1j4q s LEU 48 Cb -0.13 -2.63 0.01 0.00 0.03 0.00 0.00 46.19 43.47 1j4q s LEU 48 CO -0.12 0.23 0.28 -0.94 0.23 0.00 0.00 176.35 176.02 1j4q s SER 49 N -0.59 -0.04 -0.02 2.29 1.04 -1.26 -1.90 113.70 113.21 1j4q s SER 49 Ca 0.24 -0.42 -0.07 0.00 0.48 0.00 0.00 55.95 56.18 1j4q s SER 49 Cb -0.16 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.34 1j4q s SER 49 CO 0.13 -0.72 0.15 0.00 0.98 0.00 0.00 173.24 173.78 1j4q s ALA 50 N -3.41 -0.37 -0.03 5.32 0.00 0.46 -4.82 121.76 118.90 1j4q s ALA 50 Ca 0.01 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.77 1j4q s ALA 50 Cb 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1j4q s ALA 50 CO -0.09 -0.16 1.22 -0.51 0.00 0.00 0.00 175.76 176.22 1j4q s ASP 51 N -0.84 7.04 0.17 0.00 1.01 -1.26 -4.49 116.67 118.29 1j4q s ASP 51 Ca -0.09 1.87 -0.12 0.00 0.71 0.00 0.00 52.55 54.92 1j4q s ASP 51 Cb -0.05 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.38 1j4q s ASP 51 CO 0.01 -0.58 1.68 0.40 0.21 0.00 0.00 175.17 176.89 1j4q h ILE 52 N 4.94 1.25 -0.90 0.77 2.04 -1.90 -1.47 117.51 122.23 1j4q h ILE 52 Ca -0.36 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 1j4q h ILE 52 Cb 1.17 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 1j4q h ILE 52 CO 0.87 0.33 0.49 0.28 0.00 0.00 0.00 178.15 180.12 1j4q h SER 53 N 0.82 1.13 -0.14 1.72 0.02 -1.99 -0.59 113.55 114.52 1j4q h SER 53 Ca 0.18 -0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 60.89 1j4q h SER 53 Cb 0.35 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1j4q h SER 53 CO 0.00 0.91 -0.37 1.56 -1.14 0.00 0.00 176.83 177.79 1j4q h GLN 54 N 1.26 0.66 -0.26 3.45 1.08 -1.93 0.75 115.11 120.13 1j4q h GLN 54 Ca 0.32 -0.32 -0.05 0.00 -1.45 0.00 0.00 58.65 57.14 1j4q h GLN 54 Cb 0.03 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1j4q h GLN 54 CO -0.05 0.93 -0.02 0.28 -0.95 0.00 0.00 178.83 179.01 1j4q h VAL 55 N 0.55 1.27 -0.27 -0.54 2.07 -0.71 0.39 116.25 119.01 1j4q h VAL 55 Ca 0.05 -0.98 -0.16 0.00 0.82 0.00 0.00 66.70 66.44 1j4q h VAL 55 Cb 0.89 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1j4q h VAL 55 CO 0.08 0.31 -0.46 0.25 0.02 0.00 0.00 177.57 177.77 1j4q h LEU 56 N 0.24 0.86 -0.58 2.57 6.46 -1.09 -3.19 115.31 120.59 1j4q h LEU 56 Ca 0.07 -0.53 -0.14 0.00 -0.12 0.00 0.00 57.88 57.16 1j4q h LEU 56 Cb 0.46 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1j4q h LEU 56 CO 0.02 1.22 -0.36 0.11 -0.62 0.00 0.00 178.44 178.81 1j4q h LYS 57 N 0.53 0.74 -6.13 1.25 1.57 -0.82 -3.39 116.57 110.31 1j4q h LYS 57 Ca 0.02 -0.37 -0.56 0.00 -1.87 0.00 0.00 60.65 57.87 1j4q h LYS 57 Cb 1.06 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.27 1j4q h LYS 57 CO 0.10 0.98 0.93 -2.00 -0.57 0.00 0.00 179.45 178.89 1j4q s GLU 58 N -4.37 3.17 -0.55 3.15 2.12 0.14 -4.89 118.70 117.47 1j4q s GLU 58 Ca -0.09 -0.38 -0.03 0.00 0.36 0.00 0.00 54.97 54.83 1j4q s GLU 58 Cb 0.12 -4.19 0.22 0.00 0.26 0.00 0.00 34.13 30.54 1j4q s GLU 58 CO 0.85 -2.06 2.34 1.17 -0.54 0.00 0.00 175.26 177.02 1j4q n LYS 59 N 8.95 2.41 -1.08 4.30 0.00 -1.26 -4.80 118.16 126.67 1j4q n LYS 59 Ca 0.01 -2.61 0.00 0.00 0.00 0.00 0.00 58.31 55.71 1j4q n LYS 59 Cb 0.48 -2.09 0.00 0.00 0.00 0.00 0.00 35.03 33.42 1j4q n LYS 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1j4q n ARG 60 N 0.17 1.09 0.05 1.64 5.12 -1.26 -5.05 116.66 118.42 1j4q n ARG 60 Ca 0.48 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 56.28 1j4q n ARG 60 Cb 0.50 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.71 1j4q n ARG 60 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1j4q h SER 61 N 0.00 -0.12 -3.98 0.55 0.02 -1.97 -3.44 113.55 104.61 1j4q h SER 61 Ca 0.00 -0.31 -0.37 0.00 -0.84 0.00 0.00 61.79 60.27 1j4q h SER 61 Cb 0.00 0.03 -0.16 0.00 0.14 0.00 0.00 62.40 62.41 1j4q h SER 61 CO 0.00 0.26 -0.74 -0.51 -1.14 0.00 0.00 176.83 174.70 1j4q s ILE 62 N -4.65 1.25 0.00 3.27 1.10 -1.26 -3.34 121.20 117.57 1j4q s ILE 62 Ca -0.15 -1.88 0.00 0.00 -0.51 0.00 0.00 60.65 58.12 1j4q s ILE 62 Cb 0.02 -1.67 0.00 0.00 0.15 0.00 0.00 42.46 40.97 1j4q s ILE 62 CO 0.62 -0.57 0.00 0.29 -2.11 0.00 0.00 174.94 173.17 1j4q n LYS 63 N 0.19 0.00 -4.69 3.50 4.01 -0.45 -5.00 118.16 115.72 1j4q n LYS 63 Ca -0.13 0.00 -0.24 0.00 -0.51 0.00 0.00 58.31 57.43 1j4q n LYS 63 Cb 0.59 -0.06 -0.16 0.00 -0.51 0.00 0.00 35.03 34.89 1j4q n LYS 63 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1j4q s LYS 64 N -0.16 1.46 -0.02 1.97 2.20 -1.10 -4.99 119.74 119.10 1j4q s LYS 64 Ca 0.00 -0.51 0.05 0.00 -0.36 0.00 0.00 55.97 55.15 1j4q s LYS 64 Cb 0.00 -1.31 -0.01 0.00 -1.51 0.00 0.00 37.83 35.00 1j4q s LYS 64 CO 0.00 0.22 -0.18 0.08 -0.36 0.00 0.00 175.35 175.11 1j4q s VAL 65 N 0.02 1.46 -0.12 4.02 1.01 -1.26 -0.83 120.40 124.71 1j4q s VAL 65 Ca -0.02 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 1j4q s VAL 65 Cb -0.10 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1j4q s VAL 65 CO 0.01 0.42 0.11 0.26 0.00 0.00 0.00 175.10 175.90 1j4q s TRP 66 N -0.30 3.49 -0.16 5.22 0.51 0.51 -4.89 118.94 123.33 1j4q s TRP 66 Ca 0.04 0.44 -0.01 0.00 -2.12 0.00 0.00 56.10 54.45 1j4q s TRP 66 Cb -0.08 -1.92 -0.01 0.00 -0.81 0.00 0.00 33.47 30.64 1j4q s TRP 66 CO 0.00 0.65 -0.11 0.99 -0.51 0.00 0.00 176.95 177.97 1j4q s THR 67 N -0.91 3.10 0.04 2.01 2.01 -1.26 0.15 115.64 120.78 1j4q s THR 67 Ca 0.14 -0.63 0.07 0.00 0.31 0.00 0.00 61.69 61.58 1j4q s THR 67 Cb -0.12 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 1j4q s THR 67 CO 0.03 0.50 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.94 1j4q s PHE 68 N 0.68 2.60 -4.74 4.92 0.40 0.50 0.16 117.98 122.49 1j4q s PHE 68 Ca -0.06 -0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 1j4q s PHE 68 Cb -0.15 -1.47 0.00 0.00 0.51 0.00 0.00 43.02 41.91 1j4q s PHE 68 CO 0.02 0.28 0.00 0.41 0.70 0.00 0.00 175.22 176.63 1j4q n GLY 69 N 1.47 -1.21 0.19 4.36 0.00 -0.38 0.16 105.19 109.78 1j4q n GLY 69 Ca -0.16 -1.19 0.10 0.00 0.00 0.00 0.00 46.02 44.77 1j4q n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4q n ARG 70 N 0.00 1.26 -2.98 1.61 1.74 0.24 -1.63 116.66 116.90 1j4q n ARG 70 Ca 0.00 -0.39 -0.40 0.00 -0.77 0.00 0.00 57.85 56.30 1j4q n ARG 70 Cb 0.00 -1.33 -0.05 0.00 -1.02 0.00 0.00 32.46 30.06 1j4q n ARG 70 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1j4q s ASN 71 N -1.58 7.18 0.17 0.55 3.04 0.14 -4.81 114.94 119.62 1j4q s ASN 71 Ca 0.29 1.41 0.18 0.00 0.04 0.00 0.00 52.86 54.79 1j4q s ASN 71 Cb 0.14 -2.46 0.80 0.00 -1.54 0.00 0.00 41.25 38.20 1j4q s ASN 71 CO 0.23 -0.02 1.56 -2.65 -3.04 0.00 0.00 177.10 173.18 1j4q n PRO 72 N 3.00 0.11 0.04 0.43 -0.02 -1.26 -2.06 135.00 135.24 1j4q n PRO 72 Ca -0.02 0.42 -0.22 0.00 -2.02 0.00 0.00 63.50 61.66 1j4q n PRO 72 Cb 0.50 -1.74 -0.14 0.00 -0.02 0.00 0.00 33.50 32.10 1j4q n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j4q h ALA 73 N 2.26 0.08 -1.14 3.55 0.00 -1.95 -3.47 119.26 118.59 1j4q h ALA 73 Ca 0.00 -0.99 -0.70 0.00 0.00 0.00 0.00 54.91 53.22 1j4q h ALA 73 Cb 0.23 0.36 0.09 0.00 0.00 0.00 0.00 17.79 18.48 1j4q h ALA 73 CO 0.00 0.75 -0.22 0.00 0.00 0.00 0.00 179.25 179.78 1j4q h ASP 75 N 1.94 0.00 -3.29 0.00 5.19 0.12 -3.36 116.42 117.03 1j4q h ASP 75 Ca -0.37 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.51 1j4q h ASP 75 Cb 1.42 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 40.55 1j4q h ASP 75 CO 0.61 0.00 -0.79 -0.47 -3.12 0.00 0.00 179.24 175.47 1j4q s TYR 76 N -3.90 1.44 -0.29 4.55 5.04 0.13 -4.91 117.35 119.40 1j4q s TYR 76 Ca -0.03 -0.87 -0.12 0.00 -2.44 0.00 0.00 57.07 53.61 1j4q s TYR 76 Cb 0.09 -1.19 -0.04 0.00 0.35 0.00 0.00 41.96 41.16 1j4q s TYR 76 CO 0.27 -0.56 0.21 -1.58 -1.34 0.00 0.00 175.55 172.55 1j4q s HIS 77 N 1.72 3.22 0.00 4.97 5.65 -1.26 -1.25 115.29 128.35 1j4q s HIS 77 Ca 0.02 0.06 0.00 0.00 0.25 0.00 0.00 55.06 55.39 1j4q s HIS 77 Cb -0.15 -2.41 0.00 0.00 -1.18 0.00 0.00 32.58 28.84 1j4q s HIS 77 CO -0.07 -0.21 0.00 1.28 -0.65 0.00 0.00 174.74 175.09 1j4q n LEU 78 N 5.09 0.00 0.00 8.88 4.77 -0.64 -4.83 117.00 130.26 1j4q n LEU 78 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1j4q n LEU 78 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1j4q n LEU 78 CO 0.34 -0.37 0.03 0.61 -1.33 0.00 0.00 177.39 176.67 1j4q n GLY 79 N 5.00 0.66 0.00 -0.72 0.00 -1.26 -4.91 105.19 103.96 1j4q n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1j4q n GLY 79 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j4q n ASN 80 N -1.03 0.00 -4.27 1.61 0.23 -1.26 -5.05 115.26 105.49 1j4q n ASN 80 Ca 0.00 0.00 -0.37 0.00 -0.53 0.00 0.00 54.58 53.68 1j4q n ASN 80 Cb 0.00 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.57 1j4q n ASN 80 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1j4q s ILE 81 N 0.00 3.69 0.53 1.53 -1.09 -1.26 -4.96 121.20 119.63 1j4q s ILE 81 Ca 0.00 -1.06 0.24 0.00 -2.23 0.00 0.00 60.65 57.61 1j4q s ILE 81 Cb 0.00 -3.04 0.39 0.00 -1.58 0.00 0.00 42.46 38.22 1j4q s ILE 81 CO 0.00 -0.10 2.00 0.28 -1.23 0.00 0.00 174.94 175.90 1j4q h SER 82 N 8.19 0.01 0.30 3.58 0.02 -2.00 0.14 113.55 123.78 1j4q h SER 82 Ca -0.25 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.60 1j4q h SER 82 Cb 1.09 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 1j4q h SER 82 CO 0.59 0.01 -0.39 0.03 -1.14 0.00 0.00 176.83 175.93 1j4q h ARG 83 N 0.02 0.14 -6.65 3.45 3.08 -1.93 -3.43 114.38 109.05 1j4q h ARG 83 Ca 0.24 -0.06 -0.51 0.00 0.07 0.00 0.00 59.98 59.72 1j4q h ARG 83 Cb 0.93 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 1j4q h ARG 83 CO -0.01 0.51 0.01 -0.51 -1.07 0.00 0.00 179.97 178.91 1j4q s LEU 84 N -8.21 4.03 0.32 3.04 1.43 0.47 -4.60 118.68 115.16 1j4q s LEU 84 Ca -0.04 1.06 0.02 0.00 -1.03 0.00 0.00 54.13 54.14 1j4q s LEU 84 Cb 0.14 -3.87 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 1j4q s LEU 84 CO 0.75 -0.22 0.50 -0.94 0.23 0.00 0.00 176.35 176.67 1j4q s SER 85 N -2.67 6.26 0.22 2.29 1.04 -1.26 -4.82 113.70 114.75 1j4q s SER 85 Ca 0.50 0.30 -0.14 0.00 0.48 0.00 0.00 55.95 57.09 1j4q s SER 85 Cb -0.11 -1.91 0.26 0.00 0.10 0.00 0.00 66.02 64.36 1j4q s SER 85 CO 0.24 -0.26 1.40 0.59 0.98 0.00 0.00 173.24 176.19 1j4q n ASN 86 N -1.69 -0.53 -3.92 7.02 3.02 -1.26 -1.82 115.26 116.08 1j4q n ASN 86 Ca -0.05 1.57 -0.29 0.00 -0.03 0.00 0.00 54.58 55.77 1j4q n ASN 86 Cb 0.57 -0.38 -0.12 0.00 -0.61 0.00 0.00 39.78 39.23 1j4q n ASN 86 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1j4q s LYS 87 N -5.91 2.35 0.13 3.52 1.02 -1.26 0.81 119.74 120.40 1j4q s LYS 87 Ca -0.13 -3.15 -0.17 0.00 0.02 0.00 0.00 55.97 52.55 1j4q s LYS 87 Cb 0.20 -3.41 -0.03 0.00 -0.52 0.00 0.00 37.83 34.07 1j4q s LYS 87 CO 0.65 -1.24 1.71 1.25 -0.92 0.00 0.00 175.35 176.81 1j4q h HIS 88 N 5.73 0.48 -3.92 3.18 2.76 0.23 -3.35 115.15 120.25 1j4q h HIS 88 Ca 0.08 -0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.13 1j4q h HIS 88 Cb 0.79 -0.15 -0.14 0.00 1.55 0.00 0.00 27.41 29.47 1j4q h HIS 88 CO 0.64 0.40 -0.42 -0.59 -1.30 0.00 0.00 177.93 176.67 1j4q s PHE 89 N -5.76 0.29 0.01 5.26 -0.71 -0.35 0.15 117.98 116.86 1j4q s PHE 89 Ca -0.13 -0.72 0.02 0.00 -1.04 0.00 0.00 56.93 55.06 1j4q s PHE 89 Cb 0.09 -0.13 -0.01 0.00 -1.21 0.00 0.00 43.02 41.77 1j4q s PHE 89 CO 0.73 -0.56 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.86 1j4q s GLN 90 N -3.90 0.42 -0.10 1.99 0.74 0.50 0.19 119.66 119.50 1j4q s GLN 90 Ca 0.09 -0.31 0.03 0.00 0.05 0.00 0.00 55.36 55.22 1j4q s GLN 90 Cb 0.05 -0.36 -0.01 0.00 1.10 0.00 0.00 33.01 33.79 1j4q s GLN 90 CO -0.08 0.09 -0.19 0.42 -0.55 0.00 0.00 175.29 174.98 1j4q s ILE 91 N -0.41 2.51 -0.01 -2.34 1.01 0.40 0.18 121.20 122.55 1j4q s ILE 91 Ca -0.01 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.80 1j4q s ILE 91 Cb -0.04 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 1j4q s ILE 91 CO -0.00 0.55 -0.11 -1.48 0.00 0.00 0.00 174.94 173.91 1j4q s LEU 92 N 0.13 2.97 -0.09 2.97 2.34 -0.22 0.19 118.68 126.97 1j4q s LEU 92 Ca -0.10 -0.20 0.03 0.00 0.06 0.00 0.00 54.13 53.92 1j4q s LEU 92 Cb -0.16 -1.69 0.01 0.00 -0.56 0.00 0.00 46.19 43.79 1j4q s LEU 92 CO 0.06 0.30 -0.16 -0.22 -1.06 0.00 0.00 176.35 175.26 1j4q s LEU 93 N -1.22 1.79 0.00 1.48 2.96 -0.01 -1.46 118.68 122.22 1j4q s LEU 93 Ca 0.15 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1j4q s LEU 93 Cb -0.11 -1.07 0.00 0.00 0.50 0.00 0.00 46.19 45.51 1j4q s LEU 93 CO 0.05 0.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.75 1j4q n GLY 94 N 3.87 -0.53 5.20 7.98 0.00 -1.25 -1.34 105.19 119.11 1j4q n GLY 94 Ca -0.21 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1j4q n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j4q n GLU 95 N 0.00 0.00 0.05 1.61 -0.58 -1.21 -3.91 120.64 116.60 1j4q n GLU 95 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1j4q n GLU 95 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1j4q n GLU 95 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1j4q n ASP 96 N 1.89 -0.83 -1.16 1.62 2.03 -1.26 -5.01 116.55 113.83 1j4q n ASP 96 Ca 0.00 0.18 -0.01 0.00 0.52 0.00 0.00 54.79 55.49 1j4q n ASP 96 Cb 0.00 1.13 -0.02 0.00 -0.72 0.00 0.00 41.12 41.52 1j4q n ASP 96 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j4q n GLY 97 N -1.26 0.77 2.81 0.27 0.00 -1.25 -5.00 105.19 101.54 1j4q n GLY 97 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 1j4q n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j4q n ASN 98 N 0.24 0.91 -4.32 1.61 3.02 -1.26 -4.91 115.26 110.55 1j4q n ASN 98 Ca -0.07 -2.84 -0.21 0.00 -0.03 0.00 0.00 54.58 51.43 1j4q n ASN 98 Cb 0.90 0.95 -0.11 0.00 -0.61 0.00 0.00 39.78 40.91 1j4q n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1j4q s LEU 99 N 0.00 2.44 0.04 3.41 1.43 -1.26 -3.87 118.68 120.86 1j4q s LEU 99 Ca 0.20 -0.86 0.03 0.00 -1.03 0.00 0.00 54.13 52.47 1j4q s LEU 99 Cb 0.01 -0.80 -0.02 0.00 0.03 0.00 0.00 46.19 45.41 1j4q s LEU 99 CO 0.14 -0.05 -0.10 -0.76 0.23 0.00 0.00 176.35 175.81 1j4q s LEU 100 N -2.67 2.18 -0.15 1.79 1.43 -0.54 -1.23 118.68 119.49 1j4q s LEU 100 Ca 0.15 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.79 1j4q s LEU 100 Cb -0.05 -0.39 -0.02 0.00 0.03 0.00 0.00 46.19 45.77 1j4q s LEU 100 CO 0.06 -0.05 -0.09 -0.22 0.23 0.00 0.00 176.35 176.27 1j4q s LEU 101 N -1.18 2.85 -0.23 1.79 2.96 -0.71 -1.05 118.68 123.12 1j4q s LEU 101 Ca -0.03 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1j4q s LEU 101 Cb -0.08 -1.67 0.03 0.00 0.50 0.00 0.00 46.19 44.98 1j4q s LEU 101 CO 0.01 0.13 -0.12 0.21 -1.32 0.00 0.00 176.35 175.25 1j4q s ASN 102 N 0.59 3.97 0.32 3.68 2.47 0.48 -2.15 114.94 124.31 1j4q s ASN 102 Ca -0.06 -0.96 -0.27 0.00 0.42 0.00 0.00 52.86 51.99 1j4q s ASN 102 Cb -0.15 -1.57 -0.09 0.00 -1.45 0.00 0.00 41.25 37.98 1j4q s ASN 102 CO 0.03 -0.10 1.01 1.51 -3.72 0.00 0.00 177.10 175.83 1j4q s ASP 103 N 1.25 7.21 -0.26 -4.21 1.47 -1.25 0.19 116.67 121.06 1j4q s ASP 103 Ca -0.01 2.03 0.17 0.00 1.18 0.00 0.00 52.55 55.92 1j4q s ASP 103 Cb -0.16 -2.60 0.43 0.00 -0.34 0.00 0.00 42.92 40.24 1j4q s ASP 103 CO -0.07 -0.17 1.30 2.30 0.68 0.00 0.00 175.17 179.21 1j4q n ILE 104 N 0.71 0.54 -3.90 2.11 -5.35 -0.54 0.19 119.36 113.12 1j4q n ILE 104 Ca 0.01 -1.75 -0.27 0.00 -0.27 0.00 0.00 62.75 60.47 1j4q n ILE 104 Cb 0.48 1.10 -0.03 0.00 -1.74 0.00 0.00 39.64 39.44 1j4q n ILE 104 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1j4q s SER 105 N -2.31 6.35 0.29 7.28 0.01 0.41 -4.21 113.70 121.51 1j4q s SER 105 Ca 0.18 0.23 0.07 0.00 1.31 0.00 0.00 55.95 57.74 1j4q s SER 105 Cb 0.36 -1.94 0.42 0.00 0.21 0.00 0.00 66.02 65.07 1j4q s SER 105 CO -0.09 0.07 1.67 0.74 0.41 0.00 0.00 173.24 176.04 1j4q h THR 106 N 1.73 1.34 0.00 1.44 2.02 -1.87 -3.17 112.91 114.40 1j4q h THR 106 Ca -0.48 -1.66 -0.02 0.00 0.77 0.00 0.00 66.41 65.02 1j4q h THR 106 Cb 1.19 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1j4q h THR 106 CO 0.70 0.49 -1.61 0.59 0.37 0.00 0.00 175.52 176.07 1j4q n ASN 107 N -3.98 0.37 0.00 4.18 3.02 -1.26 -5.09 115.26 112.50 1j4q n ASN 107 Ca -0.02 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1j4q n ASN 107 Cb 0.52 1.28 0.00 0.00 -0.61 0.00 0.00 39.78 40.97 1j4q n ASN 107 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j4q n GLY 108 N 1.25 3.17 3.36 7.41 0.00 -1.20 -4.86 105.19 114.32 1j4q n GLY 108 Ca -0.04 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 1j4q n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j4q s THR 109 N -2.83 2.42 0.10 2.61 2.01 -1.26 -4.38 115.64 114.31 1j4q s THR 109 Ca 0.00 -0.96 0.09 0.00 0.31 0.00 0.00 61.69 61.13 1j4q s THR 109 Cb 0.00 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1j4q s THR 109 CO 0.00 0.58 -0.19 0.26 -0.69 0.00 0.00 174.62 174.58 1j4q s TRP 110 N -0.51 2.53 -0.22 4.92 0.51 0.32 -2.29 118.94 124.19 1j4q s TRP 110 Ca 0.07 -0.27 0.01 0.00 -2.12 0.00 0.00 56.10 53.79 1j4q s TRP 110 Cb -0.11 -1.36 0.05 0.00 -0.81 0.00 0.00 33.47 31.24 1j4q s TRP 110 CO 0.01 0.36 -0.08 -1.17 -0.51 0.00 0.00 176.95 175.55 1j4q s LEU 111 N -2.00 2.54 -1.67 2.99 2.96 0.12 0.14 118.68 123.75 1j4q s LEU 111 Ca 0.17 -1.07 -0.14 0.00 -0.22 0.00 0.00 54.13 52.87 1j4q s LEU 111 Cb -0.11 -1.25 0.13 0.00 0.50 0.00 0.00 46.19 45.46 1j4q s LEU 111 CO 0.09 -0.19 0.58 0.59 -1.32 0.00 0.00 176.35 176.10 1j4q n ASN 112 N 4.65 -1.90 0.00 3.68 3.02 -1.07 0.75 115.26 124.40 1j4q n ASN 112 Ca -0.13 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 1j4q n ASN 112 Cb 0.45 -2.42 0.00 0.00 -0.61 0.00 0.00 39.78 37.20 1j4q n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j4q n GLY 113 N -1.59 1.88 3.45 7.41 0.00 -1.26 -5.01 105.19 110.06 1j4q n GLY 113 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1j4q n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j4q s GLN 114 N -0.46 3.48 0.11 1.61 -0.21 0.23 -5.07 119.66 119.35 1j4q s GLN 114 Ca 0.00 -0.62 -0.31 0.00 0.02 0.00 0.00 55.36 54.46 1j4q s GLN 114 Cb 0.00 -3.49 -0.07 0.00 1.00 0.00 0.00 33.01 30.45 1j4q s GLN 114 CO 0.00 -0.33 1.25 0.21 -2.12 0.00 0.00 175.29 174.31 1j4q s LYS 115 N 1.62 4.42 0.34 2.91 2.47 -1.26 0.12 119.74 130.35 1j4q s LYS 115 Ca 0.05 1.89 0.07 0.00 -1.56 0.00 0.00 55.97 56.42 1j4q s LYS 115 Cb -0.16 -3.29 -0.02 0.00 -1.46 0.00 0.00 37.83 32.90 1j4q s LYS 115 CO 0.06 -0.26 0.38 0.14 0.16 0.00 0.00 175.35 175.82 1j4q s VAL 116 N 0.75 3.73 0.02 4.02 -7.23 -0.97 -4.92 120.40 115.81 1j4q s VAL 116 Ca 0.59 -1.20 -0.30 0.00 -1.81 0.00 0.00 61.98 59.25 1j4q s VAL 116 Cb -0.32 -3.27 -0.06 0.00 0.56 0.00 0.00 36.38 33.28 1j4q s VAL 116 CO 0.32 -0.16 1.43 -0.70 -0.31 0.00 0.00 175.10 175.68 1j4q s GLU 117 N -4.08 4.28 1.00 4.82 2.12 -1.26 -4.61 118.70 120.96 1j4q s GLU 117 Ca 0.43 2.03 -0.14 0.00 0.36 0.00 0.00 54.97 57.65 1j4q s GLU 117 Cb -0.07 -3.53 0.07 0.00 0.26 0.00 0.00 34.13 30.85 1j4q s GLU 117 CO 0.29 -0.58 0.41 1.17 -0.54 0.00 0.00 175.26 176.01 1j4q n LYS 118 N 5.21 -0.70 -2.69 4.30 4.81 -1.26 -2.35 118.16 125.48 1j4q n LYS 118 Ca 0.13 -0.17 -0.14 0.00 -0.87 0.00 0.00 58.31 57.27 1j4q n LYS 118 Cb 0.43 -1.88 -0.03 0.00 0.02 0.00 0.00 35.03 33.58 1j4q n LYS 118 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1j4q n ASN 119 N -1.81 -0.96 -4.52 3.14 3.02 0.51 -4.85 115.26 109.78 1j4q n ASN 119 Ca 0.06 -0.22 -0.31 0.00 -0.03 0.00 0.00 54.58 54.07 1j4q n ASN 119 Cb 0.55 -0.89 -0.12 0.00 -0.61 0.00 0.00 39.78 38.72 1j4q n ASN 119 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1j4q s SER 120 N -1.94 4.19 0.02 6.41 0.15 -0.99 -4.91 113.70 116.64 1j4q s SER 120 Ca 0.27 -0.30 -0.23 0.00 0.70 0.00 0.00 55.95 56.39 1j4q s SER 120 Cb -0.16 -0.83 -0.05 0.00 -1.71 0.00 0.00 66.02 63.27 1j4q s SER 120 CO 0.33 0.26 0.69 0.20 1.20 0.00 0.00 173.24 175.92 1j4q s ASN 121 N -1.47 7.10 0.09 5.45 -0.87 -1.26 -3.85 114.94 120.13 1j4q s ASN 121 Ca 0.16 1.32 0.06 0.00 -1.57 0.00 0.00 52.86 52.82 1j4q s ASN 121 Cb -0.11 -2.42 -0.03 0.00 -0.02 0.00 0.00 41.25 38.67 1j4q s ASN 121 CO 0.07 0.06 -0.15 -1.10 -2.57 0.00 0.00 177.10 173.40 1j4q s GLN 122 N -0.13 0.93 0.22 -0.60 -1.52 -0.91 -4.92 119.66 112.73 1j4q s GLN 122 Ca 0.35 -1.08 -0.30 0.00 -1.95 0.00 0.00 55.36 52.38 1j4q s GLN 122 Cb -0.19 -0.94 -0.09 0.00 -0.22 0.00 0.00 33.01 31.57 1j4q s GLN 122 CO 0.20 0.20 1.19 -1.17 -0.25 0.00 0.00 175.29 175.46 1j4q s LEU 123 N -1.99 4.47 0.64 2.90 2.96 -1.26 -1.73 118.68 124.66 1j4q s LEU 123 Ca 0.03 2.28 -0.18 0.00 -0.22 0.00 0.00 54.13 56.04 1j4q s LEU 123 Cb -0.08 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 1j4q s LEU 123 CO 0.03 -0.34 1.22 -0.22 -1.32 0.00 0.00 176.35 175.72 1j4q s LEU 124 N -0.60 3.55 0.12 -0.68 2.96 -0.37 -4.83 118.68 118.84 1j4q s LEU 124 Ca 0.51 2.41 0.07 0.00 -0.22 0.00 0.00 54.13 56.90 1j4q s LEU 124 Cb -0.33 -4.60 -0.04 0.00 0.50 0.00 0.00 46.19 41.72 1j4q s LEU 124 CO 0.39 -1.83 -0.17 -0.44 -1.32 0.00 0.00 176.35 172.97 1j4q s SER 125 N -1.69 2.29 -0.01 3.68 0.01 -1.26 -4.97 113.70 111.75 1j4q s SER 125 Ca 0.77 -0.76 -0.30 0.00 1.31 0.00 0.00 55.95 56.98 1j4q s SER 125 Cb -0.31 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.76 1j4q s SER 125 CO 0.38 -0.04 1.33 -1.10 0.41 0.00 0.00 173.24 174.21 1j4q s GLN 126 N -2.33 4.31 -1.59 12.44 -1.52 -1.26 -2.72 119.66 126.99 1j4q s GLN 126 Ca 0.08 1.87 0.00 0.00 -1.95 0.00 0.00 55.36 55.37 1j4q s GLN 126 Cb -0.07 -3.55 0.00 0.00 -0.22 0.00 0.00 33.01 29.17 1j4q s GLN 126 CO 0.04 -0.52 0.00 0.41 -0.25 0.00 0.00 175.29 174.97 1j4q n GLY 127 N 3.54 0.75 3.26 3.09 0.00 -1.18 -4.90 105.19 109.75 1j4q n GLY 127 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1j4q n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1j4q n ASP 128 N -1.24 -3.02 -3.80 1.61 2.03 -1.10 -4.41 116.55 106.61 1j4q n ASP 128 Ca -0.17 0.15 -0.13 0.00 0.52 0.00 0.00 54.79 55.16 1j4q n ASP 128 Cb 0.57 -0.99 -0.14 0.00 -0.72 0.00 0.00 41.12 39.85 1j4q n ASP 128 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1j4q s GLU 129 N -3.11 0.08 -0.13 -0.67 2.12 -1.26 0.91 118.70 116.64 1j4q s GLU 129 Ca 0.51 0.23 0.00 0.00 0.36 0.00 0.00 54.97 56.08 1j4q s GLU 129 Cb -0.15 -0.07 -0.01 0.00 0.26 0.00 0.00 34.13 34.16 1j4q s GLU 129 CO 0.70 -0.09 -0.15 0.42 -0.54 0.00 0.00 175.26 175.60 1j4q s ILE 130 N 0.61 2.81 -0.08 -3.70 1.01 0.41 -2.60 121.20 119.67 1j4q s ILE 130 Ca -0.05 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 1j4q s ILE 130 Cb -0.06 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1j4q s ILE 130 CO -0.03 0.52 0.07 -0.89 0.00 0.00 0.00 174.94 174.62 1j4q s THR 131 N 0.50 4.86 0.05 2.92 2.01 0.37 0.37 115.64 126.72 1j4q s THR 131 Ca -0.10 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.76 1j4q s THR 131 Cb -0.16 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 1j4q s THR 131 CO 0.04 0.55 -0.01 0.68 -0.69 0.00 0.00 174.62 175.19 1j4q s VAL 132 N -1.02 0.20 0.00 3.82 -7.23 0.26 0.12 120.40 116.55 1j4q s VAL 132 Ca 0.16 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1j4q s VAL 132 Cb -0.12 -1.36 0.00 0.00 0.56 0.00 0.00 36.38 35.46 1j4q s VAL 132 CO 0.06 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.55 1j4q n GLY 133 N 0.26 0.74 3.79 2.32 0.00 -1.26 0.11 105.19 111.15 1j4q n GLY 133 Ca -0.15 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 1j4q n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j4q s VAL 134 N -2.97 4.45 0.00 1.61 1.01 -1.26 -2.82 120.40 120.42 1j4q s VAL 134 Ca 0.00 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.55 1j4q s VAL 134 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1j4q s VAL 134 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1j4q n GLY 135 N 1.46 3.38 2.98 4.51 0.00 -1.26 -5.00 105.19 111.25 1j4q n GLY 135 Ca -0.06 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 1j4q n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j4q s VAL 136 N 0.00 1.32 0.58 1.61 1.01 -1.26 -5.01 120.40 118.65 1j4q s VAL 136 Ca 0.00 -0.49 0.30 0.00 0.00 0.00 0.00 61.98 61.80 1j4q s VAL 136 Cb 0.00 -1.27 0.43 0.00 0.00 0.00 0.00 36.38 35.54 1j4q s VAL 136 CO 0.00 0.41 1.81 -0.08 0.00 0.00 0.00 175.10 177.24 1j4q h GLU 137 N 7.95 0.00 -0.39 2.72 4.81 -1.98 0.85 114.58 128.53 1j4q h GLU 137 Ca -0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1j4q h GLU 137 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1j4q h GLU 137 CO 0.47 0.00 0.00 0.45 -0.73 0.00 0.00 179.01 179.20 1j4q n SER 138 N -3.81 2.62 -0.82 1.04 2.88 -1.26 -4.19 113.62 110.08 1j4q n SER 138 Ca 0.15 -1.92 0.05 0.00 -1.33 0.00 0.00 58.87 55.81 1j4q n SER 138 Cb 0.91 -0.26 0.10 0.00 -0.75 0.00 0.00 64.21 64.22 1j4q n SER 138 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1j4q n ASP 139 N 0.93 1.30 -4.67 -3.46 8.00 0.29 -5.05 116.55 113.90 1j4q n ASP 139 Ca 0.17 -2.83 -0.35 0.00 0.71 0.00 0.00 54.79 52.50 1j4q n ASP 139 Cb 0.44 -0.38 -0.10 0.00 -0.02 0.00 0.00 41.12 41.06 1j4q n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1j4q s ILE 140 N -1.56 4.23 -0.05 0.53 1.01 -1.13 -4.42 121.20 119.82 1j4q s ILE 140 Ca 0.30 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.72 1j4q s ILE 140 Cb 0.31 -2.77 -0.00 0.00 0.01 0.00 0.00 42.46 40.00 1j4q s ILE 140 CO -0.08 0.60 -0.18 -0.22 0.00 0.00 0.00 174.94 175.06 1j4q s LEU 141 N -0.85 1.92 0.11 2.97 0.20 0.29 -4.96 118.68 118.37 1j4q s LEU 141 Ca 0.13 -0.38 0.06 0.00 0.69 0.00 0.00 54.13 54.62 1j4q s LEU 141 Cb -0.11 -1.04 -0.04 0.00 -0.43 0.00 0.00 46.19 44.57 1j4q s LEU 141 CO 0.02 0.16 -0.02 -0.55 -0.29 0.00 0.00 176.35 175.66 1j4q s SER 142 N 0.08 4.84 -0.01 3.68 0.15 -1.26 0.91 113.70 122.09 1j4q s SER 142 Ca -0.06 -0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.34 1j4q s SER 142 Cb -0.12 -1.08 -0.00 0.00 -1.71 0.00 0.00 66.02 63.10 1j4q s SER 142 CO 0.03 0.16 -0.04 -0.76 1.20 0.00 0.00 173.24 173.83 1j4q s LEU 143 N -2.40 1.94 -0.08 3.45 2.01 0.16 -3.48 118.68 120.27 1j4q s LEU 143 Ca 0.25 -0.07 0.01 0.00 0.01 0.00 0.00 54.13 54.33 1j4q s LEU 143 Cb -0.11 -0.21 -0.03 0.00 0.01 0.00 0.00 46.19 45.86 1j4q s LEU 143 CO 0.17 0.04 -0.08 -0.69 1.01 0.00 0.00 176.35 176.80 1j4q s VAL 144 N 0.00 3.56 -0.21 -1.59 1.01 0.29 0.16 120.40 123.62 1j4q s VAL 144 Ca 0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 1j4q s VAL 144 Cb -0.03 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1j4q s VAL 144 CO -0.00 0.58 0.05 -0.63 0.00 0.00 0.00 175.10 175.10 1j4q s ILE 145 N -0.56 4.43 -0.33 2.22 1.01 0.26 0.77 121.20 129.01 1j4q s ILE 145 Ca 0.08 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 1j4q s ILE 145 Cb -0.12 -3.02 0.03 0.00 0.01 0.00 0.00 42.46 39.36 1j4q s ILE 145 CO 0.02 0.41 0.10 0.12 0.00 0.00 0.00 174.94 175.59 1j4q s PHE 146 N 0.94 3.22 0.04 3.97 2.19 0.39 -2.93 117.98 125.79 1j4q s PHE 146 Ca 0.03 -1.27 -0.25 0.00 0.33 0.00 0.00 56.93 55.78 1j4q s PHE 146 Cb -0.14 -2.28 -0.05 0.00 -1.31 0.00 0.00 43.02 39.24 1j4q s PHE 146 CO 0.03 -0.68 0.76 0.42 1.83 0.00 0.00 175.22 177.57 1j4q s ILE 147 N 1.44 4.75 -0.27 3.12 1.01 -1.26 0.85 121.20 130.84 1j4q s ILE 147 Ca -0.00 1.61 -0.29 0.00 0.00 0.00 0.00 60.65 61.97 1j4q s ILE 147 Cb -0.19 -4.11 -0.00 0.00 0.01 0.00 0.00 42.46 38.17 1j4q s ILE 147 CO 0.03 0.36 1.29 0.21 0.00 0.00 0.00 174.94 176.83 1j4q s ASN 148 N -0.00 6.73 0.31 3.58 2.47 -1.19 -4.90 114.94 121.93 1j4q s ASN 148 Ca 0.38 1.31 -0.01 0.00 0.42 0.00 0.00 52.86 54.96 1j4q s ASN 148 Cb -0.20 -2.54 0.48 0.00 -1.45 0.00 0.00 41.25 37.53 1j4q s ASN 148 CO 0.23 -1.01 1.94 -0.78 -3.72 0.00 0.00 177.10 173.75 1j4q h ASP 149 N 9.06 0.85 -0.52 -4.21 1.82 -1.93 -2.38 116.42 119.11 1j4q h ASP 149 Ca -0.26 -0.06 0.02 0.00 -0.39 0.00 0.00 57.03 56.34 1j4q h ASP 149 Cb 1.10 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.86 1j4q h ASP 149 CO 1.02 0.67 0.32 0.50 -1.61 0.00 0.00 179.24 180.14 1j4q h LYS 150 N 0.97 0.63 -0.64 0.28 3.64 -1.90 -1.80 116.57 117.74 1j4q h LYS 150 Ca 0.25 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 1j4q h LYS 150 Cb -0.00 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.63 1j4q h LYS 150 CO -0.04 0.42 0.37 0.35 -2.27 0.00 0.00 179.45 178.28 1j4q h PHE 151 N 0.65 0.69 -0.66 1.91 3.57 -1.66 -1.15 116.94 120.28 1j4q h PHE 151 Ca 0.20 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1j4q h PHE 151 Cb -0.01 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 1j4q h PHE 151 CO -0.06 0.36 0.34 0.87 -2.23 0.00 0.00 178.31 177.59 1j4q h LYS 152 N 0.71 0.93 -0.16 1.11 1.57 -1.15 0.36 116.57 119.93 1j4q h LYS 152 Ca 0.28 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1j4q h LYS 152 Cb 0.12 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1j4q h LYS 152 CO -0.15 0.70 -0.00 1.96 -0.57 0.00 0.00 179.45 181.38 1j4q h GLN 153 N 0.93 0.29 -0.49 3.15 4.20 -0.47 -1.51 115.11 121.21 1j4q h GLN 153 Ca 0.23 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 1j4q h GLN 153 Cb 0.06 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1j4q h GLN 153 CO -0.03 0.52 0.15 0.00 -0.67 0.00 0.00 178.83 178.80 1j4q h LEU 155 N 0.66 0.68 -0.64 0.00 -0.00 -0.88 0.83 115.31 115.96 1j4q h LEU 155 Ca 0.16 -0.02 0.04 0.00 -0.00 0.00 0.00 57.88 58.05 1j4q h LEU 155 Cb 0.28 -0.17 -0.05 0.00 -0.00 0.00 0.00 40.66 40.72 1j4q h LEU 155 CO -0.00 0.50 0.37 -0.08 -0.00 0.00 0.00 178.44 179.23 1j4q h GLU 156 N 0.79 0.70 0.00 1.13 4.81 -0.86 -2.28 114.58 118.86 1j4q h GLU 156 Ca 0.21 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.28 1j4q h GLU 156 Cb -0.06 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 1j4q h GLU 156 CO -0.04 0.46 -0.97 1.96 -0.73 0.00 0.00 179.01 179.69 1j4q h GLN 157 N 0.72 0.00 0.00 1.92 4.20 -1.25 -3.47 115.11 117.23 1j4q h GLN 157 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1j4q h GLN 157 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1j4q h GLN 157 CO -0.14 0.32 0.00 0.27 -0.67 0.00 0.00 178.83 178.61 1j4q n ASN 158 N -2.99 0.00 -4.50 1.46 0.23 0.28 -4.00 115.26 105.74 1j4q n ASN 158 Ca -0.04 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.61 1j4q n ASN 158 Cb 0.75 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.35 1j4q n ASN 158 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1j4q s LYS 159 N 0.00 3.32 0.23 -3.83 2.20 -1.26 -4.94 119.74 115.46 1j4q s LYS 159 Ca 0.00 -0.76 -0.30 0.00 -0.36 0.00 0.00 55.97 54.55 1j4q s LYS 159 Cb 0.00 -3.82 -0.10 0.00 -1.51 0.00 0.00 37.83 32.40 1j4q s LYS 159 CO 0.00 -0.53 1.40 0.14 -0.36 0.00 0.00 175.35 176.00 1j4q s VAL 160 N 1.69 2.85 0.28 4.02 -7.23 -1.26 -4.91 120.40 115.85 1j4q s VAL 160 Ca 0.05 0.71 -0.01 0.00 -1.81 0.00 0.00 61.98 60.92 1j4q s VAL 160 Cb -0.18 -3.45 0.28 0.00 0.56 0.00 0.00 36.38 33.59 1j4q s VAL 160 CO 0.10 0.11 1.89 0.44 -0.31 0.00 0.00 175.10 177.32 1j4q h ASP 161 N 5.25 0.99 -5.18 4.85 3.32 -1.97 -3.48 116.42 120.21 1j4q h ASP 161 Ca -0.45 0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.62 1j4q h ASP 161 Cb 1.22 -0.20 -0.11 0.00 0.22 0.00 0.00 39.33 40.45 1j4q h ASP 161 CO 0.78 0.62 -1.36 0.54 -1.72 0.00 0.00 179.24 178.11 1j4q n ARG 162 N -4.50 -4.13 -2.44 3.56 1.74 -1.26 -4.83 116.66 104.78 1j4q n ARG 162 Ca 0.15 3.14 -0.43 0.00 -0.77 0.00 0.00 57.85 59.95 1j4q n ARG 162 Cb 0.20 -4.41 -0.02 0.00 -1.02 0.00 0.00 32.46 27.21 1j4q n ARG 162 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1j4q s ILE 163 N -0.56 4.01 -2.00 0.55 -1.09 -1.26 -5.32 121.20 115.53 1j4q s ILE 163 Ca -0.24 1.02 0.01 0.00 -2.23 0.00 0.00 60.65 59.21 1j4q s ILE 163 Cb 0.02 -4.37 0.03 0.00 -1.58 0.00 0.00 42.46 36.56 1j4q s ILE 163 CO 0.66 -0.87 0.56 -2.11 -1.23 0.00 0.00 174.94 171.94