#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqi n THR 15 N 0.00 0.62 -0.07 0.00 -1.04 -1.26 -4.70 114.28 107.83 2jqi n THR 15 Ca 0.00 0.21 -0.14 0.00 -2.04 0.00 0.00 64.05 62.07 2jqi n THR 15 Cb 0.00 -1.05 -0.05 0.00 -1.82 0.00 0.00 70.33 67.40 2jqi n THR 15 CO 0.00 0.00 0.00 0.06 -0.64 0.00 0.00 175.07 174.49 2jqi h GLN 16 N 0.00 0.67 -0.93 -2.82 3.07 -2.07 -3.15 115.11 109.89 2jqi h GLN 16 Ca 0.00 -0.41 0.03 0.00 0.09 0.00 0.00 58.65 58.36 2jqi h GLN 16 Cb 0.00 0.04 -0.05 0.00 0.08 0.00 0.00 27.48 27.55 2jqi h GLN 16 CO 0.00 1.02 0.61 -0.09 0.09 0.00 0.00 178.83 180.46 2jqi h ARG 17 N 0.39 1.15 -0.93 0.06 2.43 -2.00 -1.80 114.38 113.67 2jqi h ARG 17 Ca 0.02 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2jqi h ARG 17 Cb 0.97 -0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 30.21 2jqi h ARG 17 CO 0.09 0.76 0.61 0.74 -1.51 0.00 0.00 179.97 180.66 2jqi h PHE 18 N 1.18 1.14 -0.15 2.20 0.04 -1.83 -1.06 116.94 118.46 2jqi h PHE 18 Ca 0.36 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 61.12 2jqi h PHE 18 Cb -0.02 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 37.74 2jqi h PHE 18 CO -0.00 0.68 -0.10 -0.07 -0.60 0.00 0.00 178.31 178.22 2jqi h LEU 19 N 1.20 0.22 -0.42 1.54 3.38 -1.30 -2.41 115.31 117.52 2jqi h LEU 19 Ca 0.36 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 58.11 2jqi h LEU 19 Cb -0.04 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2jqi h LEU 19 CO -0.10 0.35 -0.70 0.40 0.09 0.00 0.00 178.44 178.49 2jqi h ILE 20 N 0.23 1.36 -0.54 1.22 2.04 -1.00 -3.01 117.51 117.81 2jqi h ILE 20 Ca 0.05 -2.06 0.04 0.00 1.00 0.00 0.00 64.86 63.90 2jqi h ILE 20 Cb 0.33 2.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.40 2jqi h ILE 20 CO 0.02 0.62 0.29 -0.08 0.00 0.00 0.00 178.15 179.00 2jqi h GLU 21 N 0.32 0.54 0.00 2.37 4.81 -0.87 0.01 114.58 121.76 2jqi h GLU 21 Ca -0.02 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2jqi h GLU 21 Cb 1.27 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 2jqi h GLU 21 CO 0.12 0.36 -0.13 0.87 -0.73 0.00 0.00 179.01 179.50 2jqi h LYS 22 N 0.55 0.00 -0.37 1.92 1.57 -1.53 -2.40 116.57 116.32 2jqi h LYS 22 Ca 0.24 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.06 2jqi h LYS 22 Cb 0.12 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 2jqi h LYS 22 CO -0.15 0.13 0.12 0.35 -0.57 0.00 0.00 179.45 179.33 2jqi h PHE 23 N 0.00 0.22 0.21 -1.35 3.04 -0.85 -2.89 116.94 115.32 2jqi h PHE 23 Ca -0.00 0.02 -0.32 0.00 3.98 0.00 0.00 57.97 61.65 2jqi h PHE 23 Cb 0.46 -0.04 0.02 0.00 2.56 0.00 0.00 35.95 38.95 2jqi h PHE 23 CO 0.00 0.08 -1.45 0.77 -2.02 0.00 0.00 178.31 175.69 2jqi h SER 24 N 0.27 0.69 -3.18 0.41 0.02 -1.47 -3.38 113.55 106.90 2jqi h SER 24 Ca 0.17 -0.77 -0.80 0.00 -0.84 0.00 0.00 61.79 59.55 2jqi h SER 24 Cb 0.15 -0.22 -0.27 0.00 0.14 0.00 0.00 62.40 62.20 2jqi h SER 24 CO -0.18 1.61 0.68 0.00 -1.14 0.00 0.00 176.83 177.80 2jqi n GLN 25 N -3.64 3.87 -3.59 3.45 3.00 -0.92 -5.02 117.38 114.54 2jqi n GLN 25 Ca -0.15 -4.43 -0.37 0.00 -0.01 0.00 0.00 57.00 52.04 2jqi n GLN 25 Cb 1.08 -2.58 -0.06 0.00 0.00 0.00 0.00 30.24 28.68 2jqi n GLN 25 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2jqi s GLU 26 N -1.61 3.97 -0.52 -1.09 2.12 -1.14 -4.62 118.70 115.80 2jqi s GLU 26 Ca 0.32 0.17 -0.27 0.00 0.36 0.00 0.00 54.97 55.55 2jqi s GLU 26 Cb -0.04 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 2jqi s GLU 26 CO -0.01 0.51 2.02 -1.14 -0.54 0.00 0.00 175.26 176.10 2jqi s GLN 27 N -0.39 2.60 0.09 4.30 0.74 -1.26 -4.95 119.66 120.79 2jqi s GLN 27 Ca 0.19 1.01 -0.22 0.00 0.05 0.00 0.00 55.36 56.39 2jqi s GLN 27 Cb -0.14 -4.41 -0.07 0.00 1.10 0.00 0.00 33.01 29.49 2jqi s GLN 27 CO 0.07 -2.73 0.66 0.42 -0.55 0.00 0.00 175.29 173.16 2jqi s ILE 28 N 9.61 4.65 0.00 -2.34 -1.09 -1.26 -4.54 121.20 126.22 2jqi s ILE 28 Ca 0.79 1.43 0.00 0.00 -2.23 0.00 0.00 60.65 60.64 2jqi s ILE 28 Cb -0.16 -4.01 0.00 0.00 -1.58 0.00 0.00 42.46 36.71 2jqi s ILE 28 CO 0.25 0.50 0.00 0.61 -1.23 0.00 0.00 174.94 175.06 2jqi n GLY 29 N 1.88 1.24 0.23 6.18 0.00 -1.26 -5.05 105.19 108.41 2jqi n GLY 29 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 2jqi n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jqi h GLU 30 N 0.00 0.73 0.00 1.61 4.22 -2.02 -3.41 114.58 115.70 2jqi h GLU 30 Ca 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 59.33 2jqi h GLU 30 Cb 0.00 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.12 2jqi h GLU 30 CO 0.00 0.62 0.00 0.09 -2.18 0.00 0.00 179.01 177.54 2jqi n ASN 31 N -4.59 0.00 -4.74 1.04 3.02 -1.26 -5.08 115.26 103.65 2jqi n ASN 31 Ca 0.02 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.16 2jqi n ASN 31 Cb 0.13 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.25 2jqi n ASN 31 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jqi s ILE 32 N 0.00 3.95 -0.15 2.41 -1.09 -1.26 -0.95 121.20 124.11 2jqi s ILE 32 Ca 0.00 1.70 -0.11 0.00 -2.23 0.00 0.00 60.65 60.01 2jqi s ILE 32 Cb 0.00 -4.09 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 2jqi s ILE 32 CO 0.00 0.30 -0.22 0.52 -1.23 0.00 0.00 174.94 174.32 2jqi n VAL 33 N 2.32 1.43 -4.00 2.92 0.31 0.33 -4.59 118.33 117.06 2jqi n VAL 33 Ca 0.02 0.20 -0.10 0.00 -0.01 0.00 0.00 64.34 64.46 2jqi n VAL 33 Cb 0.47 -2.38 -0.08 0.00 -0.91 0.00 0.00 33.84 30.94 2jqi n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jqi s ARG 35 N -3.98 1.86 -0.21 0.00 3.52 0.40 0.84 118.95 121.38 2jqi s ARG 35 Ca 0.19 -0.41 -0.20 0.00 -0.13 0.00 0.00 55.73 55.18 2jqi s ARG 35 Cb 0.04 -1.73 -0.03 0.00 -1.56 0.00 0.00 34.95 31.68 2jqi s ARG 35 CO 0.00 -0.17 0.58 0.14 -0.81 0.00 0.00 175.30 175.05 2jqi s VAL 36 N 1.34 5.05 -0.13 7.11 -7.23 -0.83 0.13 120.40 125.83 2jqi s VAL 36 Ca -0.01 1.07 0.00 0.00 -1.81 0.00 0.00 61.98 61.24 2jqi s VAL 36 Cb -0.14 -3.90 0.02 0.00 0.56 0.00 0.00 36.38 32.93 2jqi s VAL 36 CO -0.05 0.12 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.10 2jqi s ILE 37 N 1.95 1.37 -0.20 -0.62 1.01 0.26 -2.01 121.20 122.96 2jqi s ILE 37 Ca 0.26 -0.51 -0.28 0.00 0.00 0.00 0.00 60.65 60.12 2jqi s ILE 37 Cb -0.16 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.00 2jqi s ILE 37 CO 0.10 0.43 1.00 0.00 0.00 0.00 0.00 174.94 176.46 2jqi n THR 39 N 5.12 1.21 1.77 0.00 -2.24 -1.24 -3.88 114.28 115.02 2jqi n THR 39 Ca 0.10 -0.70 0.15 0.00 -2.27 0.00 0.00 64.05 61.33 2jqi n THR 39 Cb 0.47 -0.75 0.87 0.00 -2.10 0.00 0.00 70.33 68.82 2jqi n THR 39 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jqi n THR 40 N -2.89 0.00 -2.62 4.28 -2.24 -1.26 -4.95 114.28 104.61 2jqi n THR 40 Ca -0.11 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.63 2jqi n THR 40 Cb 0.86 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.59 2jqi n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jqi n GLY 41 N 1.09 -1.13 0.58 3.38 0.00 -1.25 -5.00 105.19 102.87 2jqi n GLY 41 Ca 0.20 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.97 2jqi n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jqi n GLN 42 N -0.79 0.00 -5.04 1.61 6.02 -1.26 -5.11 117.38 112.80 2jqi n GLN 42 Ca 0.06 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.74 2jqi n GLN 42 Cb 0.41 -0.24 -0.14 0.00 1.02 0.00 0.00 30.24 31.28 2jqi n GLN 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2jqi s ILE 43 N -1.29 2.47 0.32 5.09 1.09 -1.26 -4.92 121.20 122.69 2jqi s ILE 43 Ca 0.00 -1.04 -0.28 0.00 -1.10 0.00 0.00 60.65 58.23 2jqi s ILE 43 Cb 0.00 -1.93 -0.10 0.00 -1.06 0.00 0.00 42.46 39.37 2jqi s ILE 43 CO 0.00 0.52 1.16 -2.16 -0.10 0.00 0.00 174.94 174.36 2jqi s PRO 44 N -0.84 4.44 0.23 2.79 0.04 -1.26 -4.23 135.00 136.16 2jqi s PRO 44 Ca 0.11 1.90 -0.32 0.00 0.04 0.00 0.00 61.00 62.74 2jqi s PRO 44 Cb -0.10 -3.03 -0.13 0.00 0.04 0.00 0.00 34.50 31.28 2jqi s PRO 44 CO 0.01 -0.00 1.49 -0.89 0.04 0.00 0.00 177.00 177.64 2jqi n ILE 45 N 0.82 0.71 -4.39 0.56 5.41 -1.26 -4.87 119.36 116.34 2jqi n ILE 45 Ca 0.00 -0.18 -0.20 0.00 1.00 0.00 0.00 62.75 63.38 2jqi n ILE 45 Cb 0.45 -1.59 -0.10 0.00 -0.71 0.00 0.00 39.64 37.68 2jqi n ILE 45 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2jqi s ARG 46 N -0.07 1.46 -0.18 0.38 3.52 -0.85 -5.03 118.95 118.18 2jqi s ARG 46 Ca 0.70 -1.72 0.01 0.00 -0.13 0.00 0.00 55.73 54.59 2jqi s ARG 46 Cb -0.62 -1.02 0.02 0.00 -1.56 0.00 0.00 34.95 31.76 2jqi s ARG 46 CO 0.46 0.03 -0.19 -0.51 -0.81 0.00 0.00 175.30 174.29 2jqi s ASP 47 N -3.39 3.07 -0.06 -2.12 1.11 -1.26 -1.97 116.67 112.05 2jqi s ASP 47 Ca 0.28 -0.64 -0.23 0.00 0.18 0.00 0.00 52.55 52.14 2jqi s ASP 47 Cb 0.03 -1.42 -0.04 0.00 1.07 0.00 0.00 42.92 42.56 2jqi s ASP 47 CO 0.10 -0.01 0.67 -0.76 1.18 0.00 0.00 175.17 176.35 2jqi s LEU 48 N 1.32 4.32 0.06 1.23 1.02 0.25 -4.98 118.68 121.90 2jqi s LEU 48 Ca 0.05 1.16 0.01 0.00 0.02 0.00 0.00 54.13 55.36 2jqi s LEU 48 Cb -0.13 -3.04 -0.03 0.00 0.02 0.00 0.00 46.19 43.01 2jqi s LEU 48 CO -0.12 -0.09 -0.05 -0.94 0.02 0.00 0.00 176.35 175.17 2jqi s SER 49 N 0.69 0.71 0.18 2.29 1.04 -1.26 0.12 113.70 117.48 2jqi s SER 49 Ca 0.36 -0.81 -0.11 0.00 0.48 0.00 0.00 55.95 55.87 2jqi s SER 49 Cb -0.18 0.12 -0.00 0.00 0.10 0.00 0.00 66.02 66.06 2jqi s SER 49 CO 0.17 -0.42 0.36 0.00 0.98 0.00 0.00 173.24 174.33 2jqi s ALA 50 N -2.83 -0.21 -0.09 5.32 0.00 -0.12 -4.77 121.76 119.06 2jqi s ALA 50 Ca 0.00 -0.76 -0.28 0.00 0.00 0.00 0.00 51.96 50.92 2jqi s ALA 50 Cb -0.00 0.90 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 2jqi s ALA 50 CO -0.05 -0.71 0.94 -0.51 0.00 0.00 0.00 175.76 175.44 2jqi s ASP 51 N -2.96 7.21 0.15 0.00 1.01 -1.26 -4.63 116.67 116.18 2jqi s ASP 51 Ca 0.17 1.48 -0.14 0.00 0.71 0.00 0.00 52.55 54.77 2jqi s ASP 51 Cb 0.02 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.44 2jqi s ASP 51 CO 0.01 -0.36 1.66 0.40 0.21 0.00 0.00 175.17 177.09 2jqi h ILE 52 N 5.00 1.24 -0.84 0.77 2.04 -1.98 -1.15 117.51 122.59 2jqi h ILE 52 Ca -0.34 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 64.67 2jqi h ILE 52 Cb 1.17 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 2jqi h ILE 52 CO 0.82 0.29 0.39 0.28 0.00 0.00 0.00 178.15 179.94 2jqi h SER 53 N 0.66 1.11 -0.20 1.72 0.02 -1.98 0.24 113.55 115.13 2jqi h SER 53 Ca 0.15 -0.14 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 2jqi h SER 53 Cb 0.31 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2jqi h SER 53 CO -0.00 0.94 -0.30 1.56 -1.14 0.00 0.00 176.83 177.89 2jqi h GLN 54 N 1.20 0.69 -0.13 3.45 1.08 -1.93 0.14 115.11 119.60 2jqi h GLN 54 Ca 0.29 -0.31 -0.16 0.00 -1.45 0.00 0.00 58.65 57.02 2jqi h GLN 54 Cb 0.13 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2jqi h GLN 54 CO -0.03 0.91 -0.56 0.28 -0.95 0.00 0.00 178.83 178.47 2jqi h VAL 55 N 0.59 1.34 -0.30 -0.54 2.07 -0.72 0.17 116.25 118.86 2jqi h VAL 55 Ca 0.07 -1.83 -0.18 0.00 0.82 0.00 0.00 66.70 65.58 2jqi h VAL 55 Cb 0.81 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2jqi h VAL 55 CO 0.07 0.56 -0.51 0.25 0.02 0.00 0.00 177.57 177.96 2jqi h LEU 56 N 0.27 0.93 -0.04 2.57 5.85 -0.49 -3.24 115.31 121.16 2jqi h LEU 56 Ca -0.03 -0.48 -0.23 0.00 0.84 0.00 0.00 57.88 57.97 2jqi h LEU 56 Cb 1.19 -0.27 0.02 0.00 0.37 0.00 0.00 40.66 41.97 2jqi h LEU 56 CO 0.12 1.27 -0.89 0.50 -0.34 0.00 0.00 178.44 179.10 2jqi h LYS 57 N 0.66 0.68 -5.70 1.25 1.63 -0.77 -3.43 116.57 110.88 2jqi h LYS 57 Ca 0.02 -0.67 -0.59 0.00 -0.85 0.00 0.00 60.65 58.57 2jqi h LYS 57 Cb 1.10 0.18 -0.09 0.00 -0.60 0.00 0.00 32.23 32.82 2jqi h LYS 57 CO 0.11 1.27 0.02 -2.00 -3.45 0.00 0.00 179.45 175.40 2jqi s GLU 58 N -3.42 4.27 -0.10 1.90 2.56 0.60 -4.93 118.70 119.57 2jqi s GLU 58 Ca -0.11 0.57 0.23 0.00 0.00 0.00 0.00 54.97 55.67 2jqi s GLU 58 Cb 0.07 -3.52 0.45 0.00 2.00 0.00 0.00 34.13 33.13 2jqi s GLU 58 CO 0.90 -0.09 1.16 0.36 -0.56 0.00 0.00 175.26 177.03 2jqi n LYS 59 N 4.50 0.72 -3.81 4.30 2.85 -1.26 -4.62 118.16 120.84 2jqi n LYS 59 Ca -0.03 -2.59 -0.11 0.00 -1.05 0.00 0.00 58.31 54.52 2jqi n LYS 59 Cb 0.50 -0.65 -0.08 0.00 -0.65 0.00 0.00 35.03 34.16 2jqi n LYS 59 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 2jqi s ARG 60 N -1.43 0.70 1.00 -1.58 3.52 -1.26 -4.83 118.95 115.07 2jqi s ARG 60 Ca 0.33 -0.50 0.00 0.00 -0.13 0.00 0.00 55.73 55.43 2jqi s ARG 60 Cb 0.37 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 34.06 2jqi s ARG 60 CO -0.12 -0.21 0.00 0.45 -0.81 0.00 0.00 175.30 174.61 2jqi n SER 61 N 0.82 0.00 -3.63 -2.12 2.88 -1.26 -4.66 113.62 105.65 2jqi n SER 61 Ca -0.20 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.33 2jqi n SER 61 Cb 0.58 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.03 2jqi n SER 61 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 2jqi s ILE 62 N 0.00 0.00 -0.01 2.46 1.10 -1.26 -4.92 121.20 118.56 2jqi s ILE 62 Ca 0.00 -0.01 -0.02 0.00 -0.51 0.00 0.00 60.65 60.11 2jqi s ILE 62 Cb 0.00 -1.16 -0.01 0.00 0.15 0.00 0.00 42.46 41.44 2jqi s ILE 62 CO 0.00 0.00 -0.03 0.29 -2.11 0.00 0.00 174.94 173.09 2jqi n LYS 63 N -0.10 0.05 -3.62 3.50 4.01 -0.73 -5.02 118.16 116.26 2jqi n LYS 63 Ca 0.03 0.02 -0.15 0.00 -0.51 0.00 0.00 58.31 57.70 2jqi n LYS 63 Cb 0.58 -0.45 -0.14 0.00 -0.51 0.00 0.00 35.03 34.51 2jqi n LYS 63 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2jqi s LYS 64 N -1.24 0.14 -0.06 1.97 2.20 -1.17 -5.00 119.74 116.57 2jqi s LYS 64 Ca -0.03 0.60 0.02 0.00 -0.36 0.00 0.00 55.97 56.20 2jqi s LYS 64 Cb 0.00 -0.31 -0.03 0.00 -1.51 0.00 0.00 37.83 35.98 2jqi s LYS 64 CO 0.04 -0.37 -0.09 0.54 -0.36 0.00 0.00 175.35 175.12 2jqi s VAL 65 N 2.38 3.55 -0.12 4.02 0.11 -1.26 -2.06 120.40 127.02 2jqi s VAL 65 Ca 0.03 -0.54 -0.07 0.00 -2.93 0.00 0.00 61.98 58.47 2jqi s VAL 65 Cb -0.13 -2.44 -0.04 0.00 -1.53 0.00 0.00 36.38 32.24 2jqi s VAL 65 CO -0.09 0.59 0.13 0.26 -3.33 0.00 0.00 175.10 172.66 2jqi s TRP 66 N -0.80 3.55 -0.14 1.54 0.51 0.57 -4.88 118.94 119.29 2jqi s TRP 66 Ca 0.12 0.48 -0.02 0.00 -2.12 0.00 0.00 56.10 54.57 2jqi s TRP 66 Cb -0.11 -1.94 -0.02 0.00 -0.81 0.00 0.00 33.47 30.59 2jqi s TRP 66 CO 0.01 0.68 -0.07 0.99 -0.51 0.00 0.00 176.95 178.06 2jqi s THR 67 N -0.92 3.63 0.06 2.01 2.01 -1.26 0.14 115.64 121.31 2jqi s THR 67 Ca 0.14 -0.46 0.10 0.00 0.31 0.00 0.00 61.69 61.78 2jqi s THR 67 Cb -0.12 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 2jqi s THR 67 CO 0.03 0.52 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.86 2jqi s PHE 68 N 0.19 2.30 -4.89 4.92 0.40 0.42 0.14 117.98 121.45 2jqi s PHE 68 Ca -0.04 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 2jqi s PHE 68 Cb -0.14 -1.35 0.00 0.00 0.51 0.00 0.00 43.02 42.04 2jqi s PHE 68 CO 0.04 0.17 0.00 0.41 0.70 0.00 0.00 175.22 176.53 2jqi n GLY 69 N 1.59 -1.31 0.11 4.36 0.00 -0.50 0.12 105.19 109.56 2jqi n GLY 69 Ca -0.17 -1.21 0.10 0.00 0.00 0.00 0.00 46.02 44.74 2jqi n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jqi n ARG 70 N 0.00 1.14 -2.97 1.61 1.74 0.10 -2.01 116.66 116.27 2jqi n ARG 70 Ca 0.00 -0.22 -0.40 0.00 -0.77 0.00 0.00 57.85 56.46 2jqi n ARG 70 Cb 0.00 -1.33 -0.05 0.00 -1.02 0.00 0.00 32.46 30.06 2jqi n ARG 70 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jqi s ASN 71 N -1.63 7.16 0.20 0.55 3.04 0.05 -4.74 114.94 119.57 2jqi s ASN 71 Ca 0.31 1.39 0.18 0.00 0.04 0.00 0.00 52.86 54.78 2jqi s ASN 71 Cb 0.15 -2.46 0.85 0.00 -1.54 0.00 0.00 41.25 38.24 2jqi s ASN 71 CO 0.24 -0.05 1.56 -2.65 -3.04 0.00 0.00 177.10 173.16 2jqi n PRO 72 N 3.22 0.12 0.06 0.43 -0.02 -1.26 -1.78 135.00 135.77 2jqi n PRO 72 Ca -0.01 0.46 -0.22 0.00 -2.02 0.00 0.00 63.50 61.72 2jqi n PRO 72 Cb 0.51 -1.79 -0.15 0.00 -0.02 0.00 0.00 33.50 32.05 2jqi n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jqi h ALA 73 N 2.20 0.02 -1.43 3.55 0.00 -1.95 -3.46 119.26 118.18 2jqi h ALA 73 Ca 0.00 -0.91 -0.66 0.00 0.00 0.00 0.00 54.91 53.33 2jqi h ALA 73 Cb 0.20 0.29 0.10 0.00 0.00 0.00 0.00 17.79 18.37 2jqi h ALA 73 CO 0.00 0.66 -0.10 0.00 0.00 0.00 0.00 179.25 179.81 2jqi h ASP 75 N 2.05 0.00 -3.19 0.00 1.82 0.85 -3.37 116.42 114.57 2jqi h ASP 75 Ca -0.37 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 55.73 2jqi h ASP 75 Cb 1.39 0.00 -0.37 0.00 0.68 0.00 0.00 39.33 41.03 2jqi h ASP 75 CO 0.62 0.00 -0.80 -0.47 -1.61 0.00 0.00 179.24 176.98 2jqi s TYR 76 N -3.88 1.57 -0.39 0.28 5.04 -0.15 -4.94 117.35 114.88 2jqi s TYR 76 Ca -0.03 -0.82 -0.14 0.00 -2.44 0.00 0.00 57.07 53.63 2jqi s TYR 76 Cb 0.09 -1.27 0.01 0.00 0.35 0.00 0.00 41.96 41.13 2jqi s TYR 76 CO 0.28 -0.54 0.29 -1.58 -1.34 0.00 0.00 175.55 172.65 2jqi s HIS 77 N 1.68 3.24 -0.06 4.97 2.46 -1.26 -1.41 115.29 124.92 2jqi s HIS 77 Ca 0.04 -0.49 -0.03 0.00 0.47 0.00 0.00 55.06 55.06 2jqi s HIS 77 Cb -0.13 -2.56 -0.01 0.00 -0.13 0.00 0.00 32.58 29.75 2jqi s HIS 77 CO -0.08 -0.53 -0.06 -0.07 -2.47 0.00 0.00 174.74 171.53 2jqi h LEU 78 N 8.60 0.00 0.00 8.88 3.38 -1.73 -3.44 115.31 130.99 2jqi h LEU 78 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2jqi h LEU 78 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2jqi h LEU 78 CO 0.71 0.30 0.00 0.61 0.09 0.00 0.00 178.44 180.14 2jqi n GLY 79 N 1.74 -2.12 0.00 0.83 0.00 -1.26 -4.68 105.19 99.70 2jqi n GLY 79 Ca -0.02 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.81 2jqi n GLY 79 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jqi n ASN 80 N 0.00 0.00 -4.69 1.61 0.23 -1.26 -4.78 115.26 106.36 2jqi n ASN 80 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.63 2jqi n ASN 80 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 2jqi n ASN 80 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2jqi s ILE 81 N 0.00 4.20 0.27 1.53 -1.09 -1.26 -4.92 121.20 119.92 2jqi s ILE 81 Ca 0.00 1.54 -0.01 0.00 -2.23 0.00 0.00 60.65 59.96 2jqi s ILE 81 Cb 0.00 -3.99 0.26 0.00 -1.58 0.00 0.00 42.46 37.15 2jqi s ILE 81 CO 0.00 0.03 1.83 0.77 -1.23 0.00 0.00 174.94 176.34 2jqi h SER 82 N 7.28 0.85 -0.23 3.58 4.64 -2.00 -2.18 113.55 125.48 2jqi h SER 82 Ca -0.37 0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 60.93 2jqi h SER 82 Cb 1.18 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 2jqi h SER 82 CO 0.86 0.47 -0.14 0.03 -0.87 0.00 0.00 176.83 177.17 2jqi h ARG 83 N 0.94 0.50 -7.08 4.77 2.47 -1.91 -3.44 114.38 110.63 2jqi h ARG 83 Ca 0.46 -0.23 -0.48 0.00 -1.26 0.00 0.00 59.98 58.46 2jqi h ARG 83 Cb 0.43 -0.01 0.04 0.00 -1.65 0.00 0.00 29.97 28.78 2jqi h ARG 83 CO -0.25 0.79 0.40 -0.51 0.56 0.00 0.00 179.97 180.96 2jqi s LEU 84 N -9.16 3.81 0.45 3.04 1.43 -0.82 -4.70 118.68 112.72 2jqi s LEU 84 Ca -0.13 2.02 0.03 0.00 -1.03 0.00 0.00 54.13 55.02 2jqi s LEU 84 Cb 0.07 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.73 2jqi s LEU 84 CO 0.78 -0.95 0.64 -0.94 0.23 0.00 0.00 176.35 176.11 2jqi s SER 85 N -1.91 5.69 0.21 2.29 1.04 -1.26 -4.67 113.70 115.09 2jqi s SER 85 Ca 0.69 0.00 -0.18 0.00 0.48 0.00 0.00 55.95 56.95 2jqi s SER 85 Cb -0.19 -1.17 0.21 0.00 0.10 0.00 0.00 66.02 64.96 2jqi s SER 85 CO 0.23 -0.77 1.58 0.78 0.98 0.00 0.00 173.24 176.04 2jqi h ASN 86 N 0.46 -1.14 -3.28 7.02 -0.26 -1.92 -2.75 115.58 113.71 2jqi h ASN 86 Ca -0.44 0.25 -0.62 0.00 -0.56 0.00 0.00 56.30 54.93 2jqi h ASN 86 Cb 1.27 0.61 -0.42 0.00 -1.06 0.00 0.00 38.32 38.72 2jqi h ASN 86 CO 0.53 -0.29 -0.60 -1.59 -1.06 0.00 0.00 177.43 174.42 2jqi s LYS 87 N -6.04 2.32 0.15 0.81 -2.85 -1.26 0.03 119.74 112.90 2jqi s LYS 87 Ca -0.14 -3.18 -0.17 0.00 -1.00 0.00 0.00 55.97 51.48 2jqi s LYS 87 Cb 0.19 -3.32 0.00 0.00 -2.06 0.00 0.00 37.83 32.64 2jqi s LYS 87 CO 0.71 -1.26 1.79 1.25 0.10 0.00 0.00 175.35 177.95 2jqi h HIS 88 N 5.59 0.49 -4.09 1.78 2.76 0.12 -3.37 115.15 118.43 2jqi h HIS 88 Ca 0.11 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.18 2jqi h HIS 88 Cb 0.78 -0.16 -0.15 0.00 1.55 0.00 0.00 27.41 29.43 2jqi h HIS 88 CO 0.64 0.33 -0.57 -0.59 -1.30 0.00 0.00 177.93 176.44 2jqi s PHE 89 N -6.09 0.40 0.01 5.26 -0.71 -0.64 0.11 117.98 116.32 2jqi s PHE 89 Ca -0.13 -0.91 0.02 0.00 -1.04 0.00 0.00 56.93 54.87 2jqi s PHE 89 Cb 0.10 -0.28 -0.01 0.00 -1.21 0.00 0.00 43.02 41.63 2jqi s PHE 89 CO 0.72 -0.44 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.96 2jqi s GLN 90 N -3.90 0.46 -0.13 1.99 0.74 0.44 0.16 119.66 119.42 2jqi s GLN 90 Ca 0.07 -0.41 0.03 0.00 0.05 0.00 0.00 55.36 55.10 2jqi s GLN 90 Cb 0.07 -0.36 0.01 0.00 1.10 0.00 0.00 33.01 33.82 2jqi s GLN 90 CO -0.10 0.09 -0.22 0.42 -0.55 0.00 0.00 175.29 174.93 2jqi s ILE 91 N -0.61 2.06 -0.07 -2.34 1.01 0.38 0.19 121.20 121.81 2jqi s ILE 91 Ca -0.03 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.67 2jqi s ILE 91 Cb -0.05 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 2jqi s ILE 91 CO 0.00 0.55 -0.14 -1.48 0.00 0.00 0.00 174.94 173.87 2jqi s LEU 92 N 0.75 2.73 -0.16 2.97 2.34 0.60 0.21 118.68 128.13 2jqi s LEU 92 Ca -0.09 -0.23 -0.03 0.00 0.06 0.00 0.00 54.13 53.85 2jqi s LEU 92 Cb -0.16 -1.57 -0.02 0.00 -0.56 0.00 0.00 46.19 43.88 2jqi s LEU 92 CO -0.01 0.30 -0.07 -0.22 -1.06 0.00 0.00 176.35 175.30 2jqi s LEU 93 N -0.44 3.04 0.00 1.48 2.96 -0.87 0.92 118.68 125.76 2jqi s LEU 93 Ca 0.05 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 2jqi s LEU 93 Cb -0.12 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.85 2jqi s LEU 93 CO 0.02 0.15 0.00 0.61 -1.32 0.00 0.00 176.35 175.80 2jqi n GLY 94 N 3.68 1.19 7.00 7.98 0.00 -0.96 -1.77 105.19 122.31 2jqi n GLY 94 Ca -0.18 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2jqi n GLY 94 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jqi n GLU 95 N 0.00 0.00 -1.58 1.61 2.13 -1.26 -2.22 120.64 119.32 2jqi n GLU 95 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 2jqi n GLU 95 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2jqi n GLU 95 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jqi n ASP 96 N -3.20 6.94 -0.17 4.31 9.92 -1.26 -4.46 116.55 128.63 2jqi n ASP 96 Ca 0.00 -3.07 0.00 0.00 -0.53 0.00 0.00 54.79 51.19 2jqi n ASP 96 Cb 0.00 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.17 2jqi n ASP 96 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jqi n GLY 97 N 1.47 0.96 3.20 0.44 0.00 -1.21 -5.11 105.19 104.92 2jqi n GLY 97 Ca 0.54 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 2jqi n GLY 97 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jqi s ASN 98 N -2.27 0.25 0.20 1.61 0.01 -0.94 -5.04 114.94 108.75 2jqi s ASN 98 Ca 0.00 -1.11 0.07 0.00 -0.71 0.00 0.00 52.86 51.11 2jqi s ASN 98 Cb 0.00 0.33 -0.04 0.00 0.41 0.00 0.00 41.25 41.95 2jqi s ASN 98 CO 0.00 -0.77 0.11 -0.22 -1.51 0.00 0.00 177.10 174.72 2jqi s LEU 99 N -3.02 3.65 0.04 0.60 0.20 -1.26 -2.27 118.68 116.61 2jqi s LEU 99 Ca 0.21 -0.27 0.03 0.00 0.69 0.00 0.00 54.13 54.80 2jqi s LEU 99 Cb 0.06 -2.23 -0.02 0.00 -0.43 0.00 0.00 46.19 43.57 2jqi s LEU 99 CO 0.01 0.03 -0.11 -0.76 -0.29 0.00 0.00 176.35 175.23 2jqi s LEU 100 N -3.36 2.20 -0.17 -0.68 1.02 0.26 -2.28 118.68 115.67 2jqi s LEU 100 Ca 0.31 -0.46 -0.02 0.00 0.02 0.00 0.00 54.13 53.97 2jqi s LEU 100 Cb -0.09 -0.38 -0.01 0.00 0.02 0.00 0.00 46.19 45.73 2jqi s LEU 100 CO 0.23 -0.06 -0.08 -0.76 0.02 0.00 0.00 176.35 175.69 2jqi s LEU 101 N -1.25 2.85 -0.24 1.79 1.02 -0.16 -0.29 118.68 122.41 2jqi s LEU 101 Ca -0.03 -0.33 -0.01 0.00 0.02 0.00 0.00 54.13 53.78 2jqi s LEU 101 Cb -0.08 -1.68 0.03 0.00 0.02 0.00 0.00 46.19 44.47 2jqi s LEU 101 CO 0.01 0.09 -0.09 0.21 0.02 0.00 0.00 176.35 176.58 2jqi s ASN 102 N 0.83 4.10 0.06 2.29 2.47 0.50 -2.21 114.94 122.97 2jqi s ASN 102 Ca -0.03 -0.88 -0.30 0.00 0.42 0.00 0.00 52.86 52.08 2jqi s ASN 102 Cb -0.15 -1.61 -0.05 0.00 -1.45 0.00 0.00 41.25 37.99 2jqi s ASN 102 CO 0.01 -0.11 0.95 1.51 -3.72 0.00 0.00 177.10 175.74 2jqi s ASP 103 N 1.29 7.42 -0.27 -4.21 1.47 -1.25 0.17 116.67 121.28 2jqi s ASP 103 Ca 0.00 1.70 0.22 0.00 1.18 0.00 0.00 52.55 55.65 2jqi s ASP 103 Cb -0.16 -2.57 0.50 0.00 -0.34 0.00 0.00 42.92 40.35 2jqi s ASP 103 CO -0.06 -0.14 1.09 2.30 0.68 0.00 0.00 175.17 179.03 2jqi n ILE 104 N 3.27 1.26 -3.98 2.11 -5.35 -0.73 0.23 119.36 116.17 2jqi n ILE 104 Ca 0.03 -2.97 -0.23 0.00 -0.27 0.00 0.00 62.75 59.31 2jqi n ILE 104 Cb 0.50 1.17 -0.03 0.00 -1.74 0.00 0.00 39.64 39.54 2jqi n ILE 104 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2jqi s SER 105 N -3.71 6.20 0.22 7.28 0.01 0.29 -4.17 113.70 119.82 2jqi s SER 105 Ca 0.28 0.06 -0.02 0.00 1.31 0.00 0.00 55.95 57.58 2jqi s SER 105 Cb 0.34 -1.81 0.22 0.00 0.21 0.00 0.00 66.02 64.98 2jqi s SER 105 CO -0.03 -0.01 1.61 0.74 0.41 0.00 0.00 173.24 175.96 2jqi h THR 106 N 1.43 1.29 0.00 1.44 2.02 -1.88 -3.23 112.91 113.97 2jqi h THR 106 Ca -0.50 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.20 2jqi h THR 106 Cb 1.22 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 2jqi h THR 106 CO 0.64 0.47 -1.85 -0.46 0.37 0.00 0.00 175.52 174.70 2jqi n ASN 107 N -4.06 0.13 0.00 4.18 0.23 -1.26 -5.09 115.26 109.38 2jqi n ASN 107 Ca -0.01 0.03 0.00 0.00 -0.53 0.00 0.00 54.58 54.07 2jqi n ASN 107 Cb 0.48 1.77 0.00 0.00 -2.08 0.00 0.00 39.78 39.95 2jqi n ASN 107 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jqi n GLY 108 N 1.25 3.28 3.36 4.83 0.00 -1.22 -4.95 105.19 111.74 2jqi n GLY 108 Ca -0.03 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 2jqi n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jqi s THR 109 N -2.75 2.46 0.08 2.61 2.01 -1.26 -4.41 115.64 114.38 2jqi s THR 109 Ca 0.00 -0.94 0.07 0.00 0.31 0.00 0.00 61.69 61.13 2jqi s THR 109 Cb 0.00 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 2jqi s THR 109 CO 0.00 0.58 -0.12 0.26 -0.69 0.00 0.00 174.62 174.65 2jqi s TRP 110 N -0.46 2.70 -0.21 4.92 0.51 0.34 -2.45 118.94 124.30 2jqi s TRP 110 Ca 0.05 -0.17 0.01 0.00 -2.12 0.00 0.00 56.10 53.87 2jqi s TRP 110 Cb -0.12 -1.45 0.05 0.00 -0.81 0.00 0.00 33.47 31.14 2jqi s TRP 110 CO 0.01 0.39 -0.09 -0.48 -0.51 0.00 0.00 176.95 176.26 2jqi s LEU 111 N -1.97 2.40 -1.66 2.99 2.34 0.99 0.17 118.68 123.95 2jqi s LEU 111 Ca 0.19 -0.97 -0.14 0.00 0.06 0.00 0.00 54.13 53.27 2jqi s LEU 111 Cb -0.11 -1.24 0.13 0.00 -0.56 0.00 0.00 46.19 44.41 2jqi s LEU 111 CO 0.11 -0.16 0.64 0.59 -1.06 0.00 0.00 176.35 176.46 2jqi n ASN 112 N 4.67 -2.26 0.00 1.48 3.02 -0.87 0.60 115.26 121.90 2jqi n ASN 112 Ca -0.14 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 2jqi n ASN 112 Cb 0.46 -2.60 0.00 0.00 -0.61 0.00 0.00 39.78 37.03 2jqi n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jqi n GLY 113 N -1.57 1.46 3.43 7.41 0.00 -1.26 -5.02 105.19 109.64 2jqi n GLY 113 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2jqi n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jqi s GLN 114 N -0.34 3.53 -0.02 1.61 -0.21 0.20 -5.07 119.66 119.36 2jqi s GLN 114 Ca 0.00 -0.57 -0.30 0.00 0.02 0.00 0.00 55.36 54.51 2jqi s GLN 114 Cb 0.00 -3.35 -0.04 0.00 1.00 0.00 0.00 33.01 30.62 2jqi s GLN 114 CO 0.00 -0.25 1.20 0.21 -2.12 0.00 0.00 175.29 174.32 2jqi s LYS 115 N 1.60 4.38 0.34 2.91 2.47 -1.26 -0.01 119.74 130.17 2jqi s LYS 115 Ca 0.06 1.70 0.07 0.00 -1.56 0.00 0.00 55.97 56.24 2jqi s LYS 115 Cb -0.16 -3.49 -0.01 0.00 -1.46 0.00 0.00 37.83 32.71 2jqi s LYS 115 CO 0.04 -0.37 0.44 0.14 0.16 0.00 0.00 175.35 175.75 2jqi s VAL 116 N 1.81 3.85 0.03 4.02 -7.23 -1.02 -4.96 120.40 116.89 2jqi s VAL 116 Ca 0.57 -1.09 -0.30 0.00 -1.81 0.00 0.00 61.98 59.35 2jqi s VAL 116 Cb -0.26 -3.32 -0.06 0.00 0.56 0.00 0.00 36.38 33.29 2jqi s VAL 116 CO 0.25 -0.15 1.42 -0.70 -0.31 0.00 0.00 175.10 175.61 2jqi s GLU 117 N -4.15 4.28 0.98 4.82 2.12 -1.26 -4.60 118.70 120.90 2jqi s GLU 117 Ca 0.45 2.02 -0.14 0.00 0.36 0.00 0.00 54.97 57.66 2jqi s GLU 117 Cb -0.09 -3.53 0.05 0.00 0.26 0.00 0.00 34.13 30.82 2jqi s GLU 117 CO 0.30 -0.57 0.31 1.17 -0.54 0.00 0.00 175.26 175.93 2jqi n LYS 118 N 5.17 -0.53 -2.85 4.30 4.81 -1.26 -2.19 118.16 125.60 2jqi n LYS 118 Ca 0.13 -0.12 -0.16 0.00 -0.87 0.00 0.00 58.31 57.29 2jqi n LYS 118 Cb 0.43 -1.81 -0.03 0.00 0.02 0.00 0.00 35.03 33.64 2jqi n LYS 118 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2jqi n ASN 119 N -1.30 -1.04 -4.56 3.14 0.23 0.63 -4.86 115.26 107.51 2jqi n ASN 119 Ca 0.05 -0.28 -0.32 0.00 -0.53 0.00 0.00 54.58 53.51 2jqi n ASN 119 Cb 0.55 -0.95 -0.11 0.00 -2.08 0.00 0.00 39.78 37.19 2jqi n ASN 119 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2jqi s SER 120 N -2.06 4.43 -0.06 0.53 0.15 -0.93 -4.91 113.70 110.84 2jqi s SER 120 Ca 0.31 -0.23 -0.23 0.00 0.70 0.00 0.00 55.95 56.49 2jqi s SER 120 Cb -0.18 -0.95 -0.04 0.00 -1.71 0.00 0.00 66.02 63.14 2jqi s SER 120 CO 0.38 0.26 0.70 0.20 1.20 0.00 0.00 173.24 175.98 2jqi s ASN 121 N -1.51 6.99 0.06 5.45 0.02 -1.26 -3.94 114.94 120.74 2jqi s ASN 121 Ca 0.17 1.19 0.05 0.00 -1.02 0.00 0.00 52.86 53.25 2jqi s ASN 121 Cb -0.11 -2.41 -0.03 0.00 0.02 0.00 0.00 41.25 38.72 2jqi s ASN 121 CO 0.08 -0.11 -0.15 -1.10 0.02 0.00 0.00 177.10 175.84 2jqi s GLN 122 N 0.77 0.94 0.20 -0.60 -1.52 -0.94 -4.91 119.66 113.60 2jqi s GLN 122 Ca 0.37 -0.89 -0.30 0.00 -1.95 0.00 0.00 55.36 52.59 2jqi s GLN 122 Cb -0.18 -0.98 -0.08 0.00 -0.22 0.00 0.00 33.01 31.55 2jqi s GLN 122 CO 0.18 0.23 1.19 -1.17 -0.25 0.00 0.00 175.29 175.47 2jqi s LEU 123 N -1.47 4.46 0.72 2.90 0.20 -1.26 -0.99 118.68 123.24 2jqi s LEU 123 Ca 0.01 2.25 -0.14 0.00 0.69 0.00 0.00 54.13 56.94 2jqi s LEU 123 Cb -0.09 -3.61 0.03 0.00 -0.43 0.00 0.00 46.19 42.09 2jqi s LEU 123 CO 0.02 -0.34 1.16 -0.22 -0.29 0.00 0.00 176.35 176.68 2jqi s LEU 124 N -0.48 3.30 0.14 -0.68 2.96 -0.96 -4.84 118.68 118.11 2jqi s LEU 124 Ca 0.51 2.17 0.08 0.00 -0.22 0.00 0.00 54.13 56.68 2jqi s LEU 124 Cb -0.33 -4.57 -0.04 0.00 0.50 0.00 0.00 46.19 41.76 2jqi s LEU 124 CO 0.38 -2.06 -0.19 -0.44 -1.32 0.00 0.00 176.35 172.71 2jqi s SER 125 N -2.37 2.64 -0.05 3.68 0.01 -1.26 -4.99 113.70 111.35 2jqi s SER 125 Ca 0.70 -0.79 -0.30 0.00 1.31 0.00 0.00 55.95 56.87 2jqi s SER 125 Cb -0.25 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.79 2jqi s SER 125 CO 0.45 0.01 1.39 -1.10 0.41 0.00 0.00 173.24 174.40 2jqi s GLN 126 N -2.44 4.26 -1.77 12.44 -1.52 -1.26 -2.59 119.66 126.78 2jqi s GLN 126 Ca 0.12 1.90 0.00 0.00 -1.95 0.00 0.00 55.36 55.43 2jqi s GLN 126 Cb -0.07 -3.68 0.00 0.00 -0.22 0.00 0.00 33.01 29.03 2jqi s GLN 126 CO 0.06 -0.64 0.00 0.41 -0.25 0.00 0.00 175.29 174.87 2jqi n GLY 127 N 3.69 0.96 3.26 3.09 0.00 -1.04 -4.92 105.19 110.22 2jqi n GLY 127 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2jqi n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jqi n ASP 128 N -1.34 -2.42 -3.78 1.61 2.03 -1.07 -4.44 116.55 107.14 2jqi n ASP 128 Ca -0.19 -0.16 -0.13 0.00 0.52 0.00 0.00 54.79 54.83 2jqi n ASP 128 Cb 0.61 -0.94 -0.13 0.00 -0.72 0.00 0.00 41.12 39.94 2jqi n ASP 128 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2jqi s GLU 129 N -3.47 0.18 -0.16 -0.67 2.02 -1.26 0.71 118.70 116.06 2jqi s GLU 129 Ca 0.55 0.34 -0.01 0.00 0.02 0.00 0.00 54.97 55.87 2jqi s GLU 129 Cb -0.11 -0.01 -0.01 0.00 0.10 0.00 0.00 34.13 34.10 2jqi s GLU 129 CO 0.64 -0.09 -0.10 0.42 0.02 0.00 0.00 175.26 176.15 2jqi s ILE 130 N 0.59 3.14 -0.11 -1.63 1.01 0.26 -2.04 121.20 122.42 2jqi s ILE 130 Ca -0.04 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 2jqi s ILE 130 Cb -0.06 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 2jqi s ILE 130 CO -0.03 0.50 0.05 -0.89 0.00 0.00 0.00 174.94 174.57 2jqi s THR 131 N 0.71 4.72 0.05 2.92 2.01 0.46 0.44 115.64 126.95 2jqi s THR 131 Ca -0.05 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 2jqi s THR 131 Cb -0.15 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 2jqi s THR 131 CO 0.02 0.59 -0.02 0.68 -0.69 0.00 0.00 174.62 175.20 2jqi s VAL 132 N -0.75 0.20 0.00 3.82 -7.23 0.30 0.13 120.40 116.86 2jqi s VAL 132 Ca 0.12 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 2jqi s VAL 132 Cb -0.12 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.50 2jqi s VAL 132 CO 0.03 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.51 2jqi n GLY 133 N 0.33 0.80 3.76 2.32 0.00 -1.26 0.11 105.19 111.24 2jqi n GLY 133 Ca -0.16 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 2jqi n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jqi s VAL 134 N -2.11 3.40 0.00 1.61 1.01 -1.26 -3.38 120.40 119.66 2jqi s VAL 134 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.37 2jqi s VAL 134 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2jqi s VAL 134 CO 0.00 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2jqi n GLY 135 N 1.09 3.28 3.06 4.51 0.00 -1.26 -4.98 105.19 110.90 2jqi n GLY 135 Ca -0.01 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 2jqi n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jqi s VAL 136 N 0.00 1.40 0.41 1.61 1.01 -1.26 -5.02 120.40 118.55 2jqi s VAL 136 Ca 0.00 -0.61 0.19 0.00 0.00 0.00 0.00 61.98 61.55 2jqi s VAL 136 Cb 0.00 -1.26 0.39 0.00 0.00 0.00 0.00 36.38 35.51 2jqi s VAL 136 CO 0.00 0.42 1.81 -0.08 0.00 0.00 0.00 175.10 177.25 2jqi h GLU 137 N 7.10 0.37 -0.34 2.72 4.81 -1.99 0.27 114.58 127.53 2jqi h GLU 137 Ca -0.29 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2jqi h GLU 137 Cb 1.19 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2jqi h GLU 137 CO 0.48 0.25 0.00 0.43 -0.73 0.00 0.00 179.01 179.43 2jqi n SER 138 N -4.55 2.44 -0.53 1.04 7.64 -1.26 -4.19 113.62 114.21 2jqi n SER 138 Ca 0.22 -1.89 0.07 0.00 1.01 0.00 0.00 58.87 58.29 2jqi n SER 138 Cb 0.81 -0.22 0.17 0.00 -1.01 0.00 0.00 64.21 63.96 2jqi n SER 138 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jqi n ASP 139 N 0.83 1.77 -4.67 6.43 9.92 0.94 -5.02 116.55 126.75 2jqi n ASP 139 Ca 0.17 -3.53 -0.35 0.00 -0.53 0.00 0.00 54.79 50.55 2jqi n ASP 139 Cb 0.43 -0.48 -0.10 0.00 -0.64 0.00 0.00 41.12 40.33 2jqi n ASP 139 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2jqi s ILE 140 N -2.84 4.27 -0.05 0.53 1.01 -1.21 -4.35 121.20 118.56 2jqi s ILE 140 Ca 0.35 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.79 2jqi s ILE 140 Cb 0.34 -2.80 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 2jqi s ILE 140 CO -0.05 0.60 -0.19 -0.22 0.00 0.00 0.00 174.94 175.07 2jqi s LEU 141 N -0.77 1.94 0.11 2.97 0.20 0.30 -4.95 118.68 118.48 2jqi s LEU 141 Ca 0.12 -0.40 0.07 0.00 0.69 0.00 0.00 54.13 54.61 2jqi s LEU 141 Cb -0.11 -1.09 -0.04 0.00 -0.43 0.00 0.00 46.19 44.52 2jqi s LEU 141 CO 0.02 0.17 -0.09 -0.55 -0.29 0.00 0.00 176.35 175.61 2jqi s SER 142 N 0.06 4.45 0.06 3.68 0.15 -1.26 0.11 113.70 120.94 2jqi s SER 142 Ca -0.06 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.23 2jqi s SER 142 Cb -0.13 -0.86 -0.03 0.00 -1.71 0.00 0.00 66.02 63.29 2jqi s SER 142 CO 0.03 0.17 -0.08 -0.76 1.20 0.00 0.00 173.24 173.81 2jqi s LEU 143 N -2.29 2.32 -0.02 3.45 2.01 0.17 -3.69 118.68 120.64 2jqi s LEU 143 Ca 0.22 -0.66 0.08 0.00 0.01 0.00 0.00 54.13 53.78 2jqi s LEU 143 Cb -0.11 -0.15 -0.02 0.00 0.01 0.00 0.00 46.19 45.93 2jqi s LEU 143 CO 0.14 -0.27 -0.26 -0.69 1.01 0.00 0.00 176.35 176.29 2jqi s VAL 144 N -1.92 2.08 -0.24 -1.59 1.01 0.33 0.90 120.40 120.97 2jqi s VAL 144 Ca -0.05 -1.10 -0.07 0.00 0.00 0.00 0.00 61.98 60.76 2jqi s VAL 144 Cb -0.06 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2jqi s VAL 144 CO -0.01 0.58 0.06 -0.63 0.00 0.00 0.00 175.10 175.10 2jqi s ILE 145 N -0.62 4.29 -0.29 2.22 1.01 0.22 0.91 121.20 128.93 2jqi s ILE 145 Ca 0.10 -0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.51 2jqi s ILE 145 Cb -0.10 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.39 2jqi s ILE 145 CO -0.01 0.36 0.07 -0.36 0.00 0.00 0.00 174.94 175.00 2jqi s PHE 146 N 1.49 3.15 0.01 3.97 0.40 0.36 -2.49 117.98 124.86 2jqi s PHE 146 Ca 0.06 -1.08 -0.25 0.00 -0.60 0.00 0.00 56.93 55.06 2jqi s PHE 146 Cb -0.15 -2.24 -0.05 0.00 0.51 0.00 0.00 43.02 41.10 2jqi s PHE 146 CO 0.03 -0.61 0.77 0.42 0.70 0.00 0.00 175.22 176.53 2jqi s ILE 147 N 1.47 4.84 -0.43 0.64 1.01 -1.26 0.15 121.20 127.62 2jqi s ILE 147 Ca 0.02 1.61 -0.29 0.00 0.00 0.00 0.00 60.65 61.99 2jqi s ILE 147 Cb -0.17 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.21 2jqi s ILE 147 CO 0.02 0.31 1.17 0.21 0.00 0.00 0.00 174.94 176.65 2jqi s ASN 148 N 0.30 6.65 0.54 3.58 2.47 -1.21 -4.89 114.94 122.39 2jqi s ASN 148 Ca 0.39 0.65 0.21 0.00 0.42 0.00 0.00 52.86 54.53 2jqi s ASN 148 Cb -0.20 -2.55 1.43 0.00 -1.45 0.00 0.00 41.25 38.48 2jqi s ASN 148 CO 0.22 -1.20 2.13 0.44 -3.72 0.00 0.00 177.10 174.97 2jqi h ASP 149 N 9.21 0.00 -0.43 -4.21 3.32 -1.95 -1.94 116.42 120.41 2jqi h ASP 149 Ca -0.23 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.83 2jqi h ASP 149 Cb 1.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 2jqi h ASP 149 CO 1.10 0.00 0.27 0.50 -1.72 0.00 0.00 179.24 179.39 2jqi h LYS 150 N 0.00 0.54 -0.72 3.56 3.11 -1.94 -0.69 116.57 120.43 2jqi h LYS 150 Ca 0.06 -0.03 0.04 0.00 -2.81 0.00 0.00 60.65 57.90 2jqi h LYS 150 Cb 0.25 -0.12 -0.05 0.00 -1.00 0.00 0.00 32.23 31.32 2jqi h LYS 150 CO -0.00 0.35 0.44 0.35 -2.81 0.00 0.00 179.45 177.79 2jqi h PHE 151 N 0.55 0.83 -0.33 1.91 3.57 -1.60 -1.38 116.94 120.49 2jqi h PHE 151 Ca 0.16 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 2jqi h PHE 151 Cb -0.03 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 2jqi h PHE 151 CO -0.06 0.46 0.06 0.87 -2.23 0.00 0.00 178.31 177.41 2jqi h LYS 152 N 0.86 0.54 -0.75 1.11 1.57 -1.41 -2.64 116.57 115.85 2jqi h LYS 152 Ca 0.29 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2jqi h LYS 152 Cb 0.05 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 2jqi h LYS 152 CO -0.12 0.62 0.49 1.96 -0.57 0.00 0.00 179.45 181.83 2jqi h GLN 153 N 0.37 0.92 -0.31 3.15 4.20 -0.75 -1.64 115.11 121.06 2jqi h GLN 153 Ca 0.10 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 2jqi h GLN 153 Cb 0.34 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2jqi h GLN 153 CO 0.01 0.61 0.11 0.00 -0.67 0.00 0.00 178.83 178.88 2jqi h LEU 155 N 0.34 1.03 -1.59 0.00 6.46 -1.08 0.83 115.31 121.30 2jqi h LEU 155 Ca 0.10 -0.14 0.02 0.00 -0.12 0.00 0.00 57.88 57.73 2jqi h LEU 155 Cb 0.22 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 2jqi h LEU 155 CO -0.00 0.89 0.30 -0.08 -0.62 0.00 0.00 178.44 178.92 2jqi h GLU 156 N 1.10 0.53 0.05 1.25 4.81 -1.14 -2.56 114.58 118.61 2jqi h GLU 156 Ca 0.26 -0.03 -0.32 0.00 -0.13 0.00 0.00 59.36 59.15 2jqi h GLU 156 Cb 0.14 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 2jqi h GLU 156 CO -0.03 0.35 -1.79 0.37 -0.73 0.00 0.00 179.01 177.18 2jqi h GLN 157 N 0.55 0.10 -6.17 1.92 4.15 -0.98 -3.50 115.11 111.17 2jqi h GLN 157 Ca 0.17 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2jqi h GLN 157 Cb 0.02 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 2jqi h GLN 157 CO -0.04 0.75 -0.82 0.27 -1.93 0.00 0.00 178.83 177.07 2jqi n ASN 158 N -3.20 -6.75 -4.80 -0.69 0.23 0.28 -4.90 115.26 95.43 2jqi n ASN 158 Ca -0.22 0.64 -0.35 0.00 -0.53 0.00 0.00 54.58 54.12 2jqi n ASN 158 Cb 1.05 -2.03 -0.06 0.00 -2.08 0.00 0.00 39.78 36.67 2jqi n ASN 158 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2jqi s LYS 159 N -0.85 4.27 -0.12 -3.83 2.47 -1.26 -5.04 119.74 115.38 2jqi s LYS 159 Ca -0.01 1.32 -0.13 0.00 -1.56 0.00 0.00 55.97 55.59 2jqi s LYS 159 Cb 0.00 -2.46 -0.05 0.00 -1.46 0.00 0.00 37.83 33.87 2jqi s LYS 159 CO 0.10 -0.01 0.29 0.14 0.16 0.00 0.00 175.35 176.02 2jqi s VAL 160 N -1.84 5.28 -0.49 4.02 -7.23 -1.26 -5.06 120.40 113.83 2jqi s VAL 160 Ca 0.58 0.54 -0.17 0.00 -1.81 0.00 0.00 61.98 61.12 2jqi s VAL 160 Cb -0.16 -3.60 0.06 0.00 0.56 0.00 0.00 36.38 33.24 2jqi s VAL 160 CO 0.21 0.48 0.50 -0.62 -0.31 0.00 0.00 175.10 175.36 2jqi s ASP 161 N -0.19 6.18 -0.02 4.85 2.15 -1.26 -5.04 116.67 123.34 2jqi s ASP 161 Ca 0.18 -1.12 0.03 0.00 0.43 0.00 0.00 52.55 52.06 2jqi s ASP 161 Cb -0.14 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2jqi s ASP 161 CO 0.06 -0.75 -0.09 -0.13 -0.17 0.00 0.00 175.17 174.09 2jqi s ARG 162 N 2.09 0.96 -0.22 4.34 0.52 -1.26 -5.12 118.95 120.26 2jqi s ARG 162 Ca 0.09 -0.32 -0.29 0.00 -0.52 0.00 0.00 55.73 54.69 2jqi s ARG 162 Cb -0.22 -0.90 0.01 0.00 0.52 0.00 0.00 34.95 34.36 2jqi s ARG 162 CO 0.09 0.13 1.03 0.42 0.02 0.00 0.00 175.30 176.99 2jqi s ILE 163 N 0.12 4.69 0.00 1.52 1.09 -1.26 -5.34 121.20 122.03 2jqi s ILE 163 Ca -0.02 2.01 0.00 0.00 -1.10 0.00 0.00 60.65 61.54 2jqi s ILE 163 Cb -0.08 -4.30 0.00 0.00 -1.06 0.00 0.00 42.46 37.02 2jqi s ILE 163 CO 0.00 -0.17 0.00 -1.14 -0.10 0.00 0.00 174.94 173.54