#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 0.00 -0.05 0.00 -2.24 -1.26 -4.89 114.28 105.85 2jqi n THR 15 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2jqi n THR 15 Cb 0.00 -0.04 -0.07 0.00 -2.10 0.00 0.00 70.33 68.11 2jqi n THR 15 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2jqi h GLN 16 N 0.00 0.28 -0.85 -0.78 5.75 -2.06 -2.88 115.11 114.57 2jqi h GLN 16 Ca 0.00 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.35 2jqi h GLN 16 Cb 0.00 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 2jqi h GLN 16 CO 0.00 0.67 0.51 -0.09 -2.65 0.00 0.00 178.83 177.27 2jqi h ARG 17 N -0.10 1.15 -0.51 1.69 2.43 -2.00 -1.99 114.38 115.06 2jqi h ARG 17 Ca 0.02 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2jqi h ARG 17 Cb 0.61 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2jqi h ARG 17 CO 0.03 0.81 0.26 0.74 -1.51 0.00 0.00 179.97 180.29 2jqi h PHE 18 N 1.17 0.68 -0.47 2.20 0.04 -1.89 -0.23 116.94 118.44 2jqi h PHE 18 Ca 0.31 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.98 2jqi h PHE 18 Cb -0.05 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 37.87 2jqi h PHE 18 CO 0.00 0.49 -0.02 1.25 -0.60 0.00 0.00 178.31 179.44 2jqi h LEU 19 N 0.70 0.83 -0.58 1.54 6.46 -1.14 -2.89 115.31 120.23 2jqi h LEU 19 Ca 0.18 -0.32 -0.15 0.00 -0.12 0.00 0.00 57.88 57.47 2jqi h LEU 19 Cb 0.05 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 2jqi h LEU 19 CO -0.03 0.95 -0.55 0.40 -0.62 0.00 0.00 178.44 178.59 2jqi h ILE 20 N 0.70 1.34 -0.72 4.05 1.08 -1.15 -3.06 117.51 119.75 2jqi h ILE 20 Ca 0.13 -1.82 0.05 0.00 -0.39 0.00 0.00 64.86 62.83 2jqi h ILE 20 Cb 0.53 1.82 -0.05 0.00 -3.07 0.00 0.00 36.82 36.05 2jqi h ILE 20 CO 0.03 0.56 0.42 -0.08 -0.69 0.00 0.00 178.15 178.39 2jqi h GLU 21 N 0.35 0.76 0.00 2.37 4.57 -0.93 0.75 114.58 122.46 2jqi h GLU 21 Ca 0.01 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 2jqi h GLU 21 Cb 1.08 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.49 2jqi h GLU 21 CO 0.10 0.50 -0.13 -0.22 -1.18 0.00 0.00 179.01 178.08 2jqi h LYS 22 N 0.78 0.00 -0.38 1.92 3.64 -1.46 -2.99 116.57 118.09 2jqi h LYS 22 Ca 0.31 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.74 2jqi h LYS 22 Cb 0.15 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 2jqi h LYS 22 CO -0.17 0.13 0.13 0.35 -2.27 0.00 0.00 179.45 177.63 2jqi h PHE 23 N 0.00 0.24 -0.62 1.91 3.57 -0.74 -2.22 116.94 119.07 2jqi h PHE 23 Ca -0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2jqi h PHE 23 Cb 0.46 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 2jqi h PHE 23 CO 0.00 0.09 0.10 0.77 -2.23 0.00 0.00 178.31 177.04 2jqi h SER 24 N 0.29 0.96 -2.25 0.41 0.02 -1.49 -3.30 113.55 108.18 2jqi h SER 24 Ca 0.17 -0.22 -0.77 0.00 -0.84 0.00 0.00 61.79 60.14 2jqi h SER 24 Cb 0.15 -0.25 -0.20 0.00 0.14 0.00 0.00 62.40 62.24 2jqi h SER 24 CO -0.18 0.95 1.34 0.00 -1.14 0.00 0.00 176.83 177.81 2jqi n GLN 25 N -4.22 3.67 -2.60 3.45 1.13 -0.84 -5.00 117.38 112.96 2jqi n GLN 25 Ca 0.04 -3.96 -0.42 0.00 -1.94 0.00 0.00 57.00 50.73 2jqi n GLN 25 Cb 0.28 -2.84 -0.03 0.00 0.11 0.00 0.00 30.24 27.76 2jqi n GLN 25 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2jqi s GLU 26 N -0.00 4.55 -0.27 -1.09 2.12 -1.24 -4.87 118.70 117.89 2jqi s GLU 26 Ca 0.38 1.57 -0.29 0.00 0.36 0.00 0.00 54.97 56.99 2jqi s GLU 26 Cb 0.01 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.99 2jqi s GLU 26 CO 0.01 -0.06 1.80 -0.65 -0.54 0.00 0.00 175.26 175.82 2jqi s GLN 27 N 0.70 3.48 0.17 4.30 -0.21 -1.26 -4.96 119.66 121.87 2jqi s GLN 27 Ca 0.53 1.62 -0.28 0.00 0.02 0.00 0.00 55.36 57.25 2jqi s GLN 27 Cb -0.25 -4.17 -0.08 0.00 1.00 0.00 0.00 33.01 29.52 2jqi s GLN 27 CO 0.29 -1.68 0.86 0.42 -2.12 0.00 0.00 175.29 173.07 2jqi s ILE 28 N 6.45 4.33 0.00 1.08 -1.09 -1.26 -4.50 121.20 126.21 2jqi s ILE 28 Ca 0.80 1.89 0.00 0.00 -2.23 0.00 0.00 60.65 61.12 2jqi s ILE 28 Cb -0.25 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.39 2jqi s ILE 28 CO 0.33 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 175.11 2jqi n GLY 29 N 1.77 0.31 0.23 6.18 0.00 -1.26 -5.01 105.19 107.40 2jqi n GLY 29 Ca -0.03 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 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 0.79 0.00 1.61 4.22 -2.02 -3.42 114.58 115.76 2jqi h GLU 30 Ca 0.00 -0.53 0.00 0.00 0.08 0.00 0.00 59.36 58.91 2jqi h GLU 30 Cb 0.52 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2jqi h GLU 30 CO 0.00 1.16 0.00 0.09 -2.18 0.00 0.00 179.01 178.08 2jqi n ASN 31 N -3.98 0.00 -4.73 1.04 3.02 -1.26 -5.10 115.26 104.24 2jqi n ASN 31 Ca -0.05 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.09 2jqi n ASN 31 Cb 0.65 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.78 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 3.89 -0.14 2.41 -1.09 -1.26 -1.01 121.20 124.00 2jqi s ILE 32 Ca 0.00 1.59 -0.10 0.00 -2.23 0.00 0.00 60.65 59.91 2jqi s ILE 32 Cb 0.00 -4.02 -0.03 0.00 -1.58 0.00 0.00 42.46 36.83 2jqi s ILE 32 CO 0.00 0.25 -0.20 0.52 -1.23 0.00 0.00 174.94 174.29 2jqi n VAL 33 N 2.57 1.32 -3.82 2.92 0.31 0.39 -4.36 118.33 117.67 2jqi n VAL 33 Ca 0.03 0.22 -0.12 0.00 -0.01 0.00 0.00 64.34 64.47 2jqi n VAL 33 Cb 0.46 -2.32 -0.10 0.00 -0.91 0.00 0.00 33.84 30.97 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 -0.96 3.37 -0.23 0.00 3.52 0.37 -1.30 118.95 123.73 2jqi s ARG 35 Ca -0.10 -0.68 -0.16 0.00 -0.13 0.00 0.00 55.73 54.66 2jqi s ARG 35 Cb -0.05 -2.68 -0.04 0.00 -1.56 0.00 0.00 34.95 30.62 2jqi s ARG 35 CO 0.02 0.14 0.40 0.14 -0.81 0.00 0.00 175.30 175.19 2jqi s VAL 36 N 0.54 5.18 -0.23 7.11 -7.23 -1.07 0.12 120.40 124.81 2jqi s VAL 36 Ca -0.08 0.68 0.02 0.00 -1.81 0.00 0.00 61.98 60.79 2jqi s VAL 36 Cb -0.16 -3.73 0.05 0.00 0.56 0.00 0.00 36.38 33.11 2jqi s VAL 36 CO 0.04 0.20 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.31 2jqi s ILE 37 N 1.68 1.80 -0.50 -0.62 1.01 0.27 -2.27 121.20 122.58 2jqi s ILE 37 Ca 0.18 -1.31 -0.21 0.00 0.00 0.00 0.00 60.65 59.31 2jqi s ILE 37 Cb -0.15 -1.95 0.05 0.00 0.01 0.00 0.00 42.46 40.41 2jqi s ILE 37 CO 0.09 0.01 0.70 0.00 0.00 0.00 0.00 174.94 175.73 2jqi n THR 39 N 5.79 0.01 1.74 0.00 -2.24 -1.26 -4.14 114.28 114.17 2jqi n THR 39 Ca -0.04 -0.04 0.15 0.00 -2.27 0.00 0.00 64.05 61.86 2jqi n THR 39 Cb 0.46 0.76 0.86 0.00 -2.10 0.00 0.00 70.33 70.32 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 -1.57 0.00 -1.47 4.28 -2.24 -1.25 -4.94 114.28 107.09 2jqi n THR 40 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2jqi n THR 40 Cb 0.35 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 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 1.12 -1.55 1.34 3.38 0.00 -1.26 -4.95 105.19 103.27 2jqi n GLY 41 Ca 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2jqi n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jqi n GLN 42 N -0.28 0.00 -4.24 1.61 10.64 -1.26 -5.09 117.38 118.76 2jqi n GLN 42 Ca 0.00 0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 55.00 2jqi n GLN 42 Cb 0.00 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.24 2jqi n GLN 42 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 2jqi s ILE 43 N -1.73 0.64 0.39 -0.39 1.01 -1.26 -4.42 121.20 115.43 2jqi s ILE 43 Ca 0.00 -0.56 -0.24 0.00 0.00 0.00 0.00 60.65 59.85 2jqi s ILE 43 Cb 0.00 -0.58 -0.09 0.00 0.01 0.00 0.00 42.46 41.80 2jqi s ILE 43 CO 0.00 0.03 1.03 -2.16 0.00 0.00 0.00 174.94 173.85 2jqi s PRO 44 N -0.59 4.21 0.25 2.79 0.04 -1.26 -4.07 135.00 136.38 2jqi s PRO 44 Ca 0.00 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 2jqi s PRO 44 Cb -0.05 -2.55 -0.14 0.00 0.04 0.00 0.00 34.50 31.80 2jqi s PRO 44 CO 0.00 -0.09 1.23 -0.89 0.04 0.00 0.00 177.00 177.29 2jqi n ILE 45 N -0.03 1.35 -4.26 0.56 5.41 -1.26 -4.82 119.36 116.30 2jqi n ILE 45 Ca 0.05 -0.34 -0.15 0.00 1.00 0.00 0.00 62.75 63.31 2jqi n ILE 45 Cb 0.50 -1.22 -0.10 0.00 -0.71 0.00 0.00 39.64 38.10 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 -0.91 1.12 -0.19 0.38 3.52 -0.96 -5.05 118.95 116.87 2jqi s ARG 46 Ca 0.65 -1.51 -0.00 0.00 -0.13 0.00 0.00 55.73 54.74 2jqi s ARG 46 Cb -0.70 -0.56 0.01 0.00 -1.56 0.00 0.00 34.95 32.15 2jqi s ARG 46 CO 0.55 0.00 -0.16 0.16 -0.81 0.00 0.00 175.30 175.04 2jqi s ASP 47 N -3.20 3.45 -0.08 -2.12 1.47 -1.26 -2.59 116.67 112.34 2jqi s ASP 47 Ca 0.20 -0.58 -0.12 0.00 1.18 0.00 0.00 52.55 53.23 2jqi s ASP 47 Cb 0.04 -1.55 -0.05 0.00 -0.34 0.00 0.00 42.92 41.02 2jqi s ASP 47 CO 0.03 -0.01 0.30 -0.76 0.68 0.00 0.00 175.17 175.41 2jqi s LEU 48 N 1.34 4.38 0.08 2.11 1.43 -0.42 -5.03 118.68 122.57 2jqi s LEU 48 Ca 0.05 0.69 -0.08 0.00 -1.03 0.00 0.00 54.13 53.76 2jqi s LEU 48 Cb -0.13 -2.38 -0.00 0.00 0.03 0.00 0.00 46.19 43.71 2jqi s LEU 48 CO -0.10 0.28 0.18 -0.94 0.23 0.00 0.00 176.35 176.00 2jqi s SER 49 N -0.59 0.12 -0.14 2.29 1.04 -1.26 -0.46 113.70 114.71 2jqi s SER 49 Ca 0.19 -0.62 -0.16 0.00 0.48 0.00 0.00 55.95 55.84 2jqi s SER 49 Cb -0.14 0.32 0.04 0.00 0.10 0.00 0.00 66.02 66.34 2jqi s SER 49 CO 0.08 -0.69 0.43 0.00 0.98 0.00 0.00 173.24 174.04 2jqi s ALA 50 N -3.63 -1.07 0.04 5.32 0.00 -0.18 -4.79 121.76 117.45 2jqi s ALA 50 Ca 0.03 1.10 -0.24 0.00 0.00 0.00 0.00 51.96 52.86 2jqi s ALA 50 Cb 0.04 -0.56 -0.06 0.00 0.00 0.00 0.00 23.12 22.54 2jqi s ALA 50 CO -0.10 -0.22 0.73 -0.51 0.00 0.00 0.00 175.76 175.66 2jqi s ASP 51 N -0.07 7.17 0.20 0.00 1.01 -1.26 -4.68 116.67 119.04 2jqi s ASP 51 Ca -0.03 1.39 -0.08 0.00 0.71 0.00 0.00 52.55 54.55 2jqi s ASP 51 Cb -0.03 -2.45 0.13 0.00 1.01 0.00 0.00 42.92 41.58 2jqi s ASP 51 CO 0.02 0.05 1.74 0.40 0.21 0.00 0.00 175.17 177.58 2jqi h ILE 52 N 4.07 1.26 -0.87 0.77 5.03 -1.99 -2.52 117.51 123.26 2jqi h ILE 52 Ca -0.44 -0.94 0.07 0.00 -0.12 0.00 0.00 64.86 63.43 2jqi h ILE 52 Cb 1.20 0.46 -0.06 0.00 -3.03 0.00 0.00 36.82 35.39 2jqi h ILE 52 CO 0.70 0.37 0.54 -1.28 -0.68 0.00 0.00 178.15 177.80 2jqi h SER 53 N 1.11 0.84 -0.19 1.72 0.87 -1.99 -0.83 113.55 115.08 2jqi h SER 53 Ca 0.24 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.69 2jqi h SER 53 Cb 0.33 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2jqi h SER 53 CO -0.00 0.53 -0.32 1.56 -0.53 0.00 0.00 176.83 178.07 2jqi h GLN 54 N 0.97 0.70 -0.15 2.24 4.20 -1.92 -1.39 115.11 119.76 2jqi h GLN 54 Ca 0.38 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2jqi h GLN 54 Cb 0.20 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2jqi h GLN 54 CO -0.18 0.92 0.06 0.28 -0.67 0.00 0.00 178.83 179.24 2jqi h VAL 55 N 0.59 1.14 0.00 -0.54 2.07 -0.83 0.21 116.25 118.90 2jqi h VAL 55 Ca 0.07 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 2jqi h VAL 55 Cb 0.83 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2jqi h VAL 55 CO 0.07 0.13 -0.44 0.17 0.02 0.00 0.00 177.57 177.53 2jqi h LEU 56 N 0.10 0.00 0.00 2.57 8.10 -1.17 -2.93 115.31 121.97 2jqi h LEU 56 Ca 0.05 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.89 2jqi h LEU 56 Cb 0.15 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.35 2jqi h LEU 56 CO -0.00 0.44 -0.70 0.11 -4.11 0.00 0.00 178.44 174.18 2jqi h LYS 57 N 0.00 0.00 -5.71 0.17 1.79 -0.98 -3.43 116.57 108.41 2jqi h LYS 57 Ca -0.00 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 58.00 2jqi h LYS 57 Cb 0.88 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2jqi h LYS 57 CO 0.06 0.69 1.53 -2.00 -1.08 0.00 0.00 179.45 178.64 2jqi s GLU 58 N -2.86 2.23 -0.88 3.15 2.56 0.73 -4.88 118.70 118.74 2jqi s GLU 58 Ca 0.03 1.16 -0.25 0.00 0.00 0.00 0.00 54.97 55.92 2jqi s GLU 58 Cb 0.08 -4.54 0.01 0.00 2.00 0.00 0.00 34.13 31.69 2jqi s GLU 58 CO 0.77 -3.16 1.58 0.21 -0.56 0.00 0.00 175.26 174.10 2jqi s LYS 59 N 7.95 3.13 -0.18 4.30 2.47 -1.26 -4.39 119.74 131.76 2jqi s LYS 59 Ca 0.89 -0.50 -0.06 0.00 -1.56 0.00 0.00 55.97 54.74 2jqi s LYS 59 Cb -0.16 -4.90 0.02 0.00 -1.46 0.00 0.00 37.83 31.34 2jqi s LYS 59 CO 0.24 -2.54 0.12 0.54 0.16 0.00 0.00 175.35 173.87 2jqi n ARG 60 N 9.03 -3.20 -1.65 4.03 5.12 -1.26 -5.08 116.66 123.65 2jqi n ARG 60 Ca 0.26 2.57 0.00 0.00 -1.93 0.00 0.00 57.85 58.75 2jqi n ARG 60 Cb 0.50 -4.23 0.00 0.00 -1.16 0.00 0.00 32.46 27.57 2jqi n ARG 60 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2jqi n SER 61 N 0.99 0.00 -1.03 0.55 2.88 -1.26 -5.01 113.62 110.74 2jqi n SER 61 Ca -0.20 -0.84 0.09 0.00 -1.33 0.00 0.00 58.87 56.60 2jqi n SER 61 Cb 0.30 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 63.99 2jqi n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jqi n ILE 62 N 0.00 0.83 0.00 2.46 0.13 -1.26 -4.39 119.36 117.12 2jqi n ILE 62 Ca 0.00 -0.91 0.00 0.00 -1.10 0.00 0.00 62.75 60.74 2jqi n ILE 62 Cb 0.00 0.65 0.00 0.00 -0.84 0.00 0.00 39.64 39.45 2jqi n ILE 62 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 2jqi n LYS 63 N 1.20 0.00 -3.68 9.51 4.76 -1.25 -3.98 118.16 124.71 2jqi n LYS 63 Ca 0.18 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.50 2jqi n LYS 63 Cb 0.54 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.64 2jqi n LYS 63 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2jqi s LYS 64 N 0.00 0.59 -0.01 1.97 2.20 -1.18 -4.99 119.74 118.32 2jqi s LYS 64 Ca 0.00 0.83 0.03 0.00 -0.36 0.00 0.00 55.97 56.47 2jqi s LYS 64 Cb 0.00 0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 36.53 2jqi s LYS 64 CO 0.00 -0.10 -0.10 0.08 -0.36 0.00 0.00 175.35 174.87 2jqi s VAL 65 N 0.72 0.76 -0.13 4.02 1.01 -1.26 -1.20 120.40 124.32 2jqi s VAL 65 Ca -0.03 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 2jqi s VAL 65 Cb -0.05 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2jqi s VAL 65 CO -0.05 0.22 0.12 0.26 0.00 0.00 0.00 175.10 175.65 2jqi s TRP 66 N -0.17 3.50 -0.16 5.22 0.51 0.52 -4.90 118.94 123.47 2jqi s TRP 66 Ca 0.03 0.44 -0.01 0.00 -2.12 0.00 0.00 56.10 54.43 2jqi s TRP 66 Cb -0.04 -1.97 -0.01 0.00 -0.81 0.00 0.00 33.47 30.63 2jqi s TRP 66 CO -0.00 0.60 -0.10 0.99 -0.51 0.00 0.00 176.95 177.93 2jqi s THR 67 N -0.69 3.22 0.04 2.01 2.01 -1.26 0.15 115.64 121.12 2jqi s THR 67 Ca 0.13 -0.59 0.07 0.00 0.31 0.00 0.00 61.69 61.61 2jqi s THR 67 Cb -0.12 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 2jqi s THR 67 CO 0.03 0.50 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.93 2jqi s PHE 68 N 0.63 2.61 -5.00 4.92 0.40 0.56 0.21 117.98 122.30 2jqi s PHE 68 Ca -0.06 -0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.05 2jqi s PHE 68 Cb -0.15 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 41.90 2jqi s PHE 68 CO 0.03 0.29 0.00 0.41 0.70 0.00 0.00 175.22 176.64 2jqi n GLY 69 N 1.46 -1.68 0.00 4.36 0.00 -0.75 0.15 105.19 108.73 2jqi n GLY 69 Ca -0.16 -1.30 0.07 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.33 0.89 -2.98 1.61 1.74 0.25 -2.54 116.66 115.30 2jqi n ARG 70 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 2jqi n ARG 70 Cb 0.00 -1.26 -0.05 0.00 -1.02 0.00 0.00 32.46 30.14 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 -1.57 7.13 0.25 0.55 3.84 0.72 -4.83 114.94 121.05 2jqi s ASN 71 Ca 0.22 1.36 0.21 0.00 0.21 0.00 0.00 52.86 54.86 2jqi s ASN 71 Cb 0.10 -2.46 0.98 0.00 -0.55 0.00 0.00 41.25 39.32 2jqi s ASN 71 CO 0.17 -0.08 1.65 -2.65 -2.79 0.00 0.00 177.10 173.39 2jqi n PRO 72 N 3.39 0.16 0.06 0.43 -0.02 -1.26 -1.84 135.00 135.91 2jqi n PRO 72 Ca -0.01 0.49 -0.22 0.00 -2.02 0.00 0.00 63.50 61.74 2jqi n PRO 72 Cb 0.51 -1.86 -0.15 0.00 -0.02 0.00 0.00 33.50 31.98 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 2.18 0.03 -1.16 3.55 0.00 -1.95 -3.47 119.26 118.44 2jqi h ALA 73 Ca 0.00 -0.94 -0.68 0.00 0.00 0.00 0.00 54.91 53.29 2jqi h ALA 73 Cb 0.22 0.31 0.10 0.00 0.00 0.00 0.00 17.79 18.41 2jqi h ALA 73 CO 0.00 0.70 -0.32 0.00 0.00 0.00 0.00 179.25 179.63 2jqi h ASP 75 N 1.55 0.00 -3.44 0.00 5.19 0.21 -3.36 116.42 116.57 2jqi h ASP 75 Ca -0.34 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.50 2jqi h ASP 75 Cb 1.42 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 40.55 2jqi h ASP 75 CO 0.59 0.00 -0.79 -0.47 -3.12 0.00 0.00 179.24 175.46 2jqi s TYR 76 N -3.89 1.89 -0.29 4.55 5.04 -0.03 -4.91 117.35 119.71 2jqi s TYR 76 Ca -0.03 -1.33 -0.20 0.00 -2.44 0.00 0.00 57.07 53.06 2jqi s TYR 76 Cb 0.09 -1.38 -0.01 0.00 0.35 0.00 0.00 41.96 41.00 2jqi s TYR 76 CO 0.28 -0.68 0.61 -1.58 -1.34 0.00 0.00 175.55 172.84 2jqi s HIS 77 N 1.57 3.24 0.37 4.97 2.46 -1.26 -1.81 115.29 124.82 2jqi s HIS 77 Ca -0.02 0.64 0.04 0.00 0.47 0.00 0.00 55.06 56.18 2jqi s HIS 77 Cb -0.17 -2.92 -0.05 0.00 -0.13 0.00 0.00 32.58 29.31 2jqi s HIS 77 CO -0.07 -0.42 0.06 -0.48 -2.47 0.00 0.00 174.74 171.36 2jqi s LEU 78 N 2.54 2.22 0.29 8.88 0.05 -1.05 -4.90 118.68 126.71 2jqi s LEU 78 Ca 0.25 -1.46 -0.30 0.00 0.05 0.00 0.00 54.13 52.67 2jqi s LEU 78 Cb -0.15 -0.41 -0.13 0.00 -2.05 0.00 0.00 46.19 43.45 2jqi s LEU 78 CO 0.11 -0.68 1.36 0.61 -0.55 0.00 0.00 176.35 177.20 2jqi n GLY 79 N -0.81 0.71 3.58 -3.48 0.00 -1.26 -4.50 105.19 99.41 2jqi n GLY 79 Ca -0.05 0.41 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 2jqi n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jqi s ASN 80 N 0.03 5.34 -0.13 1.61 4.22 -1.26 -4.69 114.94 120.06 2jqi s ASN 80 Ca 0.62 -1.65 -0.21 0.00 -2.14 0.00 0.00 52.86 49.48 2jqi s ASN 80 Cb -0.61 -2.58 -0.03 0.00 1.28 0.00 0.00 41.25 39.31 2jqi s ASN 80 CO 0.55 -2.73 0.62 -0.63 -2.04 0.00 0.00 177.10 172.87 2jqi s ILE 81 N 9.78 5.07 0.60 0.54 -1.09 -1.26 -4.94 121.20 129.90 2jqi s ILE 81 Ca 0.66 1.22 0.29 0.00 -2.23 0.00 0.00 60.65 60.59 2jqi s ILE 81 Cb -0.01 -3.95 0.36 0.00 -1.58 0.00 0.00 42.46 37.29 2jqi s ILE 81 CO 0.10 0.21 2.02 -1.28 -1.23 0.00 0.00 174.94 174.76 2jqi h SER 82 N 7.04 0.00 0.10 3.58 0.87 -2.01 -1.50 113.55 121.63 2jqi h SER 82 Ca -0.37 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.04 2jqi h SER 82 Cb 1.17 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.14 2jqi h SER 82 CO 0.76 0.00 -0.68 0.03 -0.53 0.00 0.00 176.83 176.41 2jqi h ARG 83 N 0.00 0.20 -7.13 2.24 2.47 -1.94 -3.46 114.38 106.76 2jqi h ARG 83 Ca 0.12 -0.35 -0.49 0.00 -1.26 0.00 0.00 59.98 58.00 2jqi h ARG 83 Cb 0.72 0.13 0.06 0.00 -1.65 0.00 0.00 29.97 29.23 2jqi h ARG 83 CO -0.00 1.17 0.39 -0.51 0.56 0.00 0.00 179.97 181.58 2jqi s LEU 84 N -7.93 3.65 0.43 3.04 1.43 -0.57 -4.66 118.68 114.07 2jqi s LEU 84 Ca -0.16 1.96 0.03 0.00 -1.03 0.00 0.00 54.13 54.93 2jqi s LEU 84 Cb 0.00 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.67 2jqi s LEU 84 CO 0.78 -1.13 0.62 -0.94 0.23 0.00 0.00 176.35 175.91 2jqi s SER 85 N -2.27 5.77 0.20 2.29 1.04 -1.26 -4.68 113.70 114.80 2jqi s SER 85 Ca 0.67 0.03 -0.19 0.00 0.48 0.00 0.00 55.95 56.95 2jqi s SER 85 Cb -0.19 -1.26 0.17 0.00 0.10 0.00 0.00 66.02 64.84 2jqi s SER 85 CO 0.30 -0.69 1.58 0.78 0.98 0.00 0.00 173.24 176.18 2jqi h ASN 86 N 0.52 -1.20 -3.34 7.02 -0.26 -1.92 -2.65 115.58 113.74 2jqi h ASN 86 Ca -0.45 0.25 -0.64 0.00 -0.56 0.00 0.00 56.30 54.90 2jqi h ASN 86 Cb 1.26 0.62 -0.41 0.00 -1.06 0.00 0.00 38.32 38.73 2jqi h ASN 86 CO 0.54 -0.30 -0.50 -0.54 -1.06 0.00 0.00 177.43 175.57 2jqi s LYS 87 N -6.00 2.53 0.16 0.81 1.02 -1.26 0.84 119.74 117.83 2jqi s LYS 87 Ca -0.14 -3.22 -0.16 0.00 0.02 0.00 0.00 55.97 52.47 2jqi s LYS 87 Cb 0.18 -3.50 0.04 0.00 -0.52 0.00 0.00 37.83 34.02 2jqi s LYS 87 CO 0.70 -1.26 1.81 1.25 -0.92 0.00 0.00 175.35 176.94 2jqi h HIS 88 N 5.68 0.51 -3.79 3.18 2.76 0.17 -3.35 115.15 120.31 2jqi h HIS 88 Ca 0.11 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.19 2jqi h HIS 88 Cb 0.79 -0.17 -0.16 0.00 1.55 0.00 0.00 27.41 29.42 2jqi h HIS 88 CO 0.67 0.31 -0.44 -0.59 -1.30 0.00 0.00 177.93 176.58 2jqi s PHE 89 N -6.16 0.18 0.00 5.26 -0.71 -0.37 0.14 117.98 116.33 2jqi s PHE 89 Ca -0.13 -0.54 0.02 0.00 -1.04 0.00 0.00 56.93 55.23 2jqi s PHE 89 Cb 0.11 -0.11 -0.01 0.00 -1.21 0.00 0.00 43.02 41.81 2jqi s PHE 89 CO 0.73 -0.46 -0.05 -1.14 -1.34 0.00 0.00 175.22 172.95 2jqi s GLN 90 N -3.28 0.43 -0.12 1.99 0.74 0.44 0.21 119.66 120.06 2jqi s GLN 90 Ca 0.01 -0.24 0.01 0.00 0.05 0.00 0.00 55.36 55.19 2jqi s GLN 90 Cb 0.02 -0.39 -0.01 0.00 1.10 0.00 0.00 33.01 33.74 2jqi s GLN 90 CO -0.08 0.10 -0.17 0.42 -0.55 0.00 0.00 175.29 175.01 2jqi s ILE 91 N -0.25 2.64 -0.02 -2.34 1.01 0.39 0.16 121.20 122.79 2jqi s ILE 91 Ca 0.01 -0.81 0.06 0.00 0.00 0.00 0.00 60.65 59.91 2jqi s ILE 91 Cb -0.03 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 2jqi s ILE 91 CO -0.00 0.54 -0.20 -1.48 0.00 0.00 0.00 174.94 173.79 2jqi s LEU 92 N 0.38 2.40 -0.12 2.97 2.34 -0.50 0.20 118.68 126.35 2jqi s LEU 92 Ca -0.14 -0.36 0.01 0.00 0.06 0.00 0.00 54.13 53.71 2jqi s LEU 92 Cb -0.17 -1.45 0.02 0.00 -0.56 0.00 0.00 46.19 44.03 2jqi s LEU 92 CO 0.07 0.32 -0.14 -0.22 -1.06 0.00 0.00 176.35 175.31 2jqi s LEU 93 N -0.79 1.67 0.00 1.48 2.96 -0.34 -0.67 118.68 122.99 2jqi s LEU 93 Ca 0.11 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 2jqi s LEU 93 Cb -0.10 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.48 2jqi s LEU 93 CO 0.01 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.62 2jqi n GLY 94 N 4.47 -0.76 5.00 7.98 0.00 -1.25 -3.12 105.19 117.51 2jqi n GLY 94 Ca -0.18 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 1.61 2.13 -1.26 -2.70 120.64 120.42 2jqi n GLU 95 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2jqi n GLU 95 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2jqi n GLU 95 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2jqi n ASP 96 N 1.82 0.00 0.00 4.31 -0.08 -1.26 -5.06 116.55 116.28 2jqi n ASP 96 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2jqi n ASP 96 Cb 0.00 0.02 0.00 0.00 2.34 0.00 0.00 41.12 43.48 2jqi n ASP 96 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jqi n GLY 97 N 1.37 0.16 3.22 0.27 0.00 -1.10 -5.07 105.19 104.04 2jqi n GLY 97 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 2jqi n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jqi n ASN 98 N 0.00 -4.18 -4.66 1.61 6.94 -1.26 -4.74 115.26 108.97 2jqi n ASN 98 Ca 0.00 -0.87 -0.25 0.00 -0.02 0.00 0.00 54.58 53.44 2jqi n ASN 98 Cb 0.00 -1.01 -0.08 0.00 -2.36 0.00 0.00 39.78 36.34 2jqi n ASN 98 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2jqi s LEU 99 N -7.88 3.27 0.03 -4.53 1.43 -1.26 -3.81 118.68 105.92 2jqi s LEU 99 Ca 0.67 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 2jqi s LEU 99 Cb -0.12 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 2jqi s LEU 99 CO 0.56 0.06 -0.10 -0.76 0.23 0.00 0.00 176.35 176.34 2jqi s LEU 100 N -3.17 2.14 -0.20 1.79 1.02 0.15 -2.54 118.68 117.87 2jqi s LEU 100 Ca 0.28 -0.38 -0.03 0.00 0.02 0.00 0.00 54.13 54.03 2jqi s LEU 100 Cb -0.08 -0.41 -0.01 0.00 0.02 0.00 0.00 46.19 45.71 2jqi s LEU 100 CO 0.19 -0.01 -0.07 -0.76 0.02 0.00 0.00 176.35 175.72 2jqi s LEU 101 N -0.95 2.83 -0.23 1.79 1.02 0.36 -1.40 118.68 122.08 2jqi s LEU 101 Ca -0.01 -0.39 -0.00 0.00 0.02 0.00 0.00 54.13 53.75 2jqi s LEU 101 Cb -0.07 -1.70 0.03 0.00 0.02 0.00 0.00 46.19 44.47 2jqi s LEU 101 CO 0.01 0.02 -0.10 0.21 0.02 0.00 0.00 176.35 176.51 2jqi s ASN 102 N 1.23 4.09 0.16 2.29 2.47 0.43 -1.73 114.94 123.87 2jqi s ASN 102 Ca 0.03 -0.88 -0.30 0.00 0.42 0.00 0.00 52.86 52.12 2jqi s ASN 102 Cb -0.14 -1.61 -0.07 0.00 -1.45 0.00 0.00 41.25 37.97 2jqi s ASN 102 CO -0.02 -0.11 1.01 1.51 -3.72 0.00 0.00 177.10 175.77 2jqi s ASP 103 N 1.29 7.43 -0.25 -4.21 1.47 -1.25 0.17 116.67 121.32 2jqi s ASP 103 Ca 0.00 1.93 0.21 0.00 1.18 0.00 0.00 52.55 55.87 2jqi s ASP 103 Cb -0.16 -2.60 0.48 0.00 -0.34 0.00 0.00 42.92 40.30 2jqi s ASP 103 CO -0.06 -0.09 1.19 2.30 0.68 0.00 0.00 175.17 179.19 2jqi n ILE 104 N 2.43 0.93 -3.72 2.11 -5.35 -0.55 0.24 119.36 115.45 2jqi n ILE 104 Ca 0.02 -2.39 -0.22 0.00 -0.27 0.00 0.00 62.75 59.89 2jqi n ILE 104 Cb 0.48 1.22 -0.02 0.00 -1.74 0.00 0.00 39.64 39.58 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 -3.16 6.28 0.22 7.28 0.01 0.37 -4.15 113.70 120.55 2jqi s SER 105 Ca 0.24 0.19 -0.03 0.00 1.31 0.00 0.00 55.95 57.66 2jqi s SER 105 Cb 0.34 -1.87 0.20 0.00 0.21 0.00 0.00 66.02 64.90 2jqi s SER 105 CO -0.06 -0.18 1.60 0.74 0.41 0.00 0.00 173.24 175.75 2jqi h THR 106 N 1.00 1.29 0.00 1.44 2.02 -1.87 -3.24 112.91 113.54 2jqi h THR 106 Ca -0.51 -1.49 -0.00 0.00 0.77 0.00 0.00 66.41 65.18 2jqi h THR 106 Cb 1.23 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 69.09 2jqi h THR 106 CO 0.61 0.48 -1.85 -0.46 0.37 0.00 0.00 175.52 174.66 2jqi n ASN 107 N -4.06 0.13 0.00 4.18 0.23 -1.26 -5.09 115.26 109.39 2jqi n ASN 107 Ca -0.01 0.05 0.00 0.00 -0.53 0.00 0.00 54.58 54.09 2jqi n ASN 107 Cb 0.49 1.76 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 3.18 3.35 4.83 0.00 -1.23 -4.94 105.19 111.63 2jqi n GLY 108 Ca -0.04 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.74 2.45 0.08 2.61 2.01 -1.26 -4.49 115.64 114.30 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 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 2jqi s THR 109 CO 0.00 0.58 -0.12 0.26 -0.69 0.00 0.00 174.62 174.64 2jqi s TRP 110 N -0.44 2.70 -0.21 4.92 0.51 0.31 -2.65 118.94 124.07 2jqi s TRP 110 Ca 0.05 -0.17 0.01 0.00 -2.12 0.00 0.00 56.10 53.86 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 0.38 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.57 2jqi s LEU 111 N -1.97 2.43 -1.69 2.99 2.96 0.80 0.14 118.68 124.34 2jqi s LEU 111 Ca 0.19 -0.98 -0.15 0.00 -0.22 0.00 0.00 54.13 52.97 2jqi s LEU 111 Cb -0.11 -1.25 0.14 0.00 0.50 0.00 0.00 46.19 45.46 2jqi s LEU 111 CO 0.11 -0.16 0.58 0.59 -1.32 0.00 0.00 176.35 176.15 2jqi n ASN 112 N 4.66 -1.94 0.00 3.68 5.03 -1.09 0.10 115.26 125.70 2jqi n ASN 112 Ca -0.14 -1.11 0.00 0.00 0.87 0.00 0.00 54.58 54.20 2jqi n ASN 112 Cb 0.46 -2.36 0.00 0.00 -1.02 0.00 0.00 39.78 36.86 2jqi n ASN 112 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jqi n GLY 113 N -1.56 1.45 3.46 7.41 0.00 -1.26 -5.02 105.19 109.68 2jqi n GLY 113 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.32 3.58 -0.04 1.61 -0.21 0.28 -5.07 119.66 119.49 2jqi s GLN 114 Ca 0.00 -0.54 -0.30 0.00 0.02 0.00 0.00 55.36 54.54 2jqi s GLN 114 Cb 0.00 -3.44 -0.03 0.00 1.00 0.00 0.00 33.01 30.53 2jqi s GLN 114 CO 0.00 -0.26 1.18 0.21 -2.12 0.00 0.00 175.29 174.30 2jqi s LYS 115 N 1.63 4.37 0.30 2.91 2.47 -1.26 -0.14 119.74 130.02 2jqi s LYS 115 Ca 0.06 1.66 0.07 0.00 -1.56 0.00 0.00 55.97 56.20 2jqi s LYS 115 Cb -0.16 -3.53 -0.02 0.00 -1.46 0.00 0.00 37.83 32.66 2jqi s LYS 115 CO 0.05 -0.40 0.35 0.14 0.16 0.00 0.00 175.35 175.65 2jqi s VAL 116 N 2.01 4.25 0.05 4.02 -7.23 -1.08 -4.97 120.40 117.45 2jqi s VAL 116 Ca 0.56 -1.17 -0.31 0.00 -1.81 0.00 0.00 61.98 59.25 2jqi s VAL 116 Cb -0.25 -3.45 -0.07 0.00 0.56 0.00 0.00 36.38 33.18 2jqi s VAL 116 CO 0.23 -0.23 1.40 -0.70 -0.31 0.00 0.00 175.10 175.49 2jqi s GLU 117 N -4.03 4.30 1.01 4.82 2.12 -1.26 -4.59 118.70 121.07 2jqi s GLU 117 Ca 0.39 2.02 -0.15 0.00 0.36 0.00 0.00 54.97 57.59 2jqi s GLU 117 Cb -0.08 -3.45 0.06 0.00 0.26 0.00 0.00 34.13 30.92 2jqi s GLU 117 CO 0.28 -0.52 0.28 1.17 -0.54 0.00 0.00 175.26 175.93 2jqi n LYS 118 N 4.82 -0.78 -2.95 4.30 4.81 -1.26 -2.14 118.16 124.95 2jqi n LYS 118 Ca 0.12 -0.19 -0.17 0.00 -0.87 0.00 0.00 58.31 57.20 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 0.09 1.17 0.00 0.00 177.40 178.66 2jqi n ASN 119 N -1.51 -1.09 -4.51 3.14 3.02 0.65 -4.86 115.26 110.11 2jqi n ASN 119 Ca 0.05 -0.29 -0.33 0.00 -0.03 0.00 0.00 54.58 53.97 2jqi n ASN 119 Cb 0.57 -1.00 -0.12 0.00 -0.61 0.00 0.00 39.78 38.61 2jqi n ASN 119 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2jqi s SER 120 N -2.14 4.37 0.01 6.41 0.15 -0.91 -4.91 113.70 116.67 2jqi s SER 120 Ca 0.33 -0.14 -0.30 0.00 0.70 0.00 0.00 55.95 56.54 2jqi s SER 120 Cb -0.19 -1.21 -0.03 0.00 -1.71 0.00 0.00 66.02 62.87 2jqi s SER 120 CO 0.40 0.30 0.96 0.20 1.20 0.00 0.00 173.24 176.30 2jqi s ASN 121 N -0.46 7.36 0.05 5.45 0.02 -1.26 -3.91 114.94 122.19 2jqi s ASN 121 Ca 0.06 1.65 0.05 0.00 -1.02 0.00 0.00 52.86 53.60 2jqi s ASN 121 Cb -0.12 -2.56 -0.02 0.00 0.02 0.00 0.00 41.25 38.56 2jqi s ASN 121 CO 0.02 -0.23 -0.15 -1.10 0.02 0.00 0.00 177.10 175.66 2jqi s GLN 122 N 0.88 0.95 0.21 -0.60 -1.52 -0.71 -4.91 119.66 113.96 2jqi s GLN 122 Ca 0.51 -0.84 -0.30 0.00 -1.95 0.00 0.00 55.36 52.78 2jqi s GLN 122 Cb -0.21 -0.98 -0.08 0.00 -0.22 0.00 0.00 33.01 31.52 2jqi s GLN 122 CO 0.28 0.24 1.18 -1.17 -0.25 0.00 0.00 175.29 175.56 2jqi s LEU 123 N -1.32 4.47 0.80 2.90 2.96 -1.26 -0.49 118.68 126.74 2jqi s LEU 123 Ca 0.01 2.25 -0.12 0.00 -0.22 0.00 0.00 54.13 56.06 2jqi s LEU 123 Cb -0.09 -3.61 0.08 0.00 0.50 0.00 0.00 46.19 43.07 2jqi s LEU 123 CO 0.02 -0.33 1.16 -1.48 -1.32 0.00 0.00 176.35 174.39 2jqi s LEU 124 N -0.52 3.10 0.14 -0.68 0.05 -1.05 -4.83 118.68 114.89 2jqi s LEU 124 Ca 0.51 2.17 0.08 0.00 0.05 0.00 0.00 54.13 56.94 2jqi s LEU 124 Cb -0.33 -4.57 -0.04 0.00 -2.05 0.00 0.00 46.19 39.21 2jqi s LEU 124 CO 0.38 -2.48 -0.19 -0.55 -0.55 0.00 0.00 176.35 172.97 2jqi s SER 125 N -2.57 2.57 -0.23 1.48 0.15 -1.26 -5.02 113.70 108.83 2jqi s SER 125 Ca 0.68 -0.80 -0.29 0.00 0.70 0.00 0.00 55.95 56.25 2jqi s SER 125 Cb -0.24 -0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 63.91 2jqi s SER 125 CO 0.52 -0.01 1.51 -1.10 1.20 0.00 0.00 173.24 175.35 2jqi s GLN 126 N -2.48 3.88 -1.64 5.44 -1.52 -1.26 -2.66 119.66 119.42 2jqi s GLN 126 Ca 0.12 1.58 -0.00 0.00 -1.95 0.00 0.00 55.36 55.11 2jqi s GLN 126 Cb -0.07 -3.97 0.00 0.00 -0.22 0.00 0.00 33.01 28.75 2jqi s GLN 126 CO 0.05 -1.18 0.00 0.41 -0.25 0.00 0.00 175.29 174.33 2jqi n GLY 127 N 4.46 -0.50 3.24 3.09 0.00 -1.07 -4.94 105.19 109.47 2jqi n GLY 127 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.98 -2.87 -3.78 1.61 2.03 -0.72 -4.49 116.55 106.36 2jqi n ASP 128 Ca -0.23 -0.39 -0.13 0.00 0.52 0.00 0.00 54.79 54.56 2jqi n ASP 128 Cb 0.67 -0.99 -0.13 0.00 -0.72 0.00 0.00 41.12 39.96 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 -4.06 0.19 -0.17 -0.67 2.02 -1.26 0.10 118.70 114.86 2jqi s GLU 129 Ca 0.57 0.35 -0.03 0.00 0.02 0.00 0.00 54.97 55.88 2jqi s GLU 129 Cb -0.14 -0.01 -0.02 0.00 0.10 0.00 0.00 34.13 34.07 2jqi s GLU 129 CO 0.56 -0.09 -0.06 0.42 0.02 0.00 0.00 175.26 176.11 2jqi s ILE 130 N 0.61 3.50 -0.11 -1.63 1.01 0.33 -2.68 121.20 122.23 2jqi s ILE 130 Ca -0.04 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 2jqi s ILE 130 Cb -0.06 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 2jqi s ILE 130 CO -0.03 0.47 0.04 -0.89 0.00 0.00 0.00 174.94 174.53 2jqi s THR 131 N 0.77 4.65 0.05 2.92 2.01 0.36 0.93 115.64 127.33 2jqi s THR 131 Ca -0.02 -0.11 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 2jqi s THR 131 Cb -0.15 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 2jqi s THR 131 CO 0.02 0.58 -0.02 0.68 -0.69 0.00 0.00 174.62 175.18 2jqi s VAL 132 N -0.63 0.20 0.00 3.82 -7.23 0.62 0.11 120.40 117.30 2jqi s VAL 132 Ca 0.11 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 2jqi s VAL 132 Cb -0.12 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.47 2jqi s VAL 132 CO 0.02 -0.92 0.00 0.61 -0.31 0.00 0.00 175.10 174.50 2jqi n GLY 133 N 0.29 0.97 3.76 2.32 0.00 -1.26 0.75 105.19 112.02 2jqi n GLY 133 Ca -0.15 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.10 3.51 0.00 1.61 1.01 -1.26 -2.99 120.40 120.18 2jqi s VAL 134 Ca 0.00 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.48 2jqi s VAL 134 Cb 0.00 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2jqi s VAL 134 CO 0.00 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.05 2jqi n GLY 135 N 1.14 4.00 3.01 4.51 0.00 -1.26 -5.00 105.19 111.59 2jqi n GLY 135 Ca -0.01 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 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 1.36 0.56 1.61 1.01 -1.26 -5.01 120.40 118.68 2jqi s VAL 136 Ca 0.00 -0.53 0.31 0.00 0.00 0.00 0.00 61.98 61.76 2jqi s VAL 136 Cb 0.00 -1.28 0.45 0.00 0.00 0.00 0.00 36.38 35.55 2jqi s VAL 136 CO 0.00 0.42 1.84 -0.08 0.00 0.00 0.00 175.10 177.28 2jqi h GLU 137 N 7.73 0.00 -0.34 2.72 4.81 -1.98 0.71 114.58 128.23 2jqi h GLU 137 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2jqi h GLU 137 Cb 1.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2jqi h GLU 137 CO 0.48 0.00 0.00 0.43 -0.73 0.00 0.00 179.01 179.19 2jqi n SER 138 N -3.96 2.49 -0.48 1.04 7.64 -1.26 -4.18 113.62 114.91 2jqi n SER 138 Ca 0.16 -1.89 0.06 0.00 1.01 0.00 0.00 58.87 58.22 2jqi n SER 138 Cb 0.94 -0.22 0.13 0.00 -1.01 0.00 0.00 64.21 64.04 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 0.86 1.61 -4.64 6.43 9.92 0.25 -5.03 116.55 125.94 2jqi n ASP 139 Ca 0.17 -3.04 -0.35 0.00 -0.53 0.00 0.00 54.79 51.04 2jqi n ASP 139 Cb 0.43 -0.41 -0.10 0.00 -0.64 0.00 0.00 41.12 40.41 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 -2.18 4.21 -0.05 0.53 1.01 -1.16 -4.17 121.20 119.39 2jqi s ILE 140 Ca 0.29 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.70 2jqi s ILE 140 Cb 0.28 -2.78 -0.00 0.00 0.01 0.00 0.00 42.46 39.97 2jqi s ILE 140 CO -0.03 0.58 -0.18 -0.76 0.00 0.00 0.00 174.94 174.55 2jqi s LEU 141 N -0.66 1.93 -0.10 2.97 1.43 0.23 -4.95 118.68 119.52 2jqi s LEU 141 Ca 0.10 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 2jqi s LEU 141 Cb -0.12 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 2jqi s LEU 141 CO 0.02 0.16 0.05 -0.44 0.23 0.00 0.00 176.35 176.37 2jqi s SER 142 N 0.06 5.60 0.13 2.29 0.01 -1.26 -0.27 113.70 120.26 2jqi s SER 142 Ca -0.05 0.23 0.08 0.00 1.31 0.00 0.00 55.95 57.53 2jqi s SER 142 Cb -0.12 -1.69 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 2jqi s SER 142 CO 0.03 0.37 -0.20 -0.76 0.41 0.00 0.00 173.24 173.09 2jqi s LEU 143 N -0.81 2.37 -0.06 2.44 1.02 0.27 -3.91 118.68 119.99 2jqi s LEU 143 Ca 0.13 -0.77 0.05 0.00 0.02 0.00 0.00 54.13 53.56 2jqi s LEU 143 Cb -0.12 -0.86 -0.01 0.00 0.02 0.00 0.00 46.19 45.23 2jqi s LEU 143 CO 0.03 0.01 -0.24 -0.69 0.02 0.00 0.00 176.35 175.48 2jqi s VAL 144 N -1.59 1.97 -0.23 -1.59 1.01 0.52 0.12 120.40 120.61 2jqi s VAL 144 Ca 0.11 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 2jqi s VAL 144 Cb -0.08 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 2jqi s VAL 144 CO 0.05 0.55 0.06 -0.63 0.00 0.00 0.00 175.10 175.13 2jqi s ILE 145 N -0.03 4.30 -0.24 2.22 1.01 0.28 0.98 121.20 129.72 2jqi s ILE 145 Ca -0.07 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 2jqi s ILE 145 Cb -0.14 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 2jqi s ILE 145 CO 0.05 0.37 0.00 -0.36 0.00 0.00 0.00 174.94 174.99 2jqi s PHE 146 N 1.39 3.02 0.04 3.97 0.40 0.31 -1.76 117.98 125.36 2jqi s PHE 146 Ca 0.05 -0.85 -0.25 0.00 -0.60 0.00 0.00 56.93 55.28 2jqi s PHE 146 Cb -0.15 -2.16 -0.05 0.00 0.51 0.00 0.00 43.02 41.18 2jqi s PHE 146 CO 0.03 -0.52 0.77 0.42 0.70 0.00 0.00 175.22 176.62 2jqi s ILE 147 N 1.51 4.76 -0.10 0.64 1.01 -1.26 0.14 121.20 127.90 2jqi s ILE 147 Ca 0.05 1.63 -0.28 0.00 0.00 0.00 0.00 60.65 62.05 2jqi s ILE 147 Cb -0.15 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.19 2jqi s ILE 147 CO -0.01 0.35 0.93 0.21 0.00 0.00 0.00 174.94 176.42 2jqi s ASN 148 N 0.04 7.18 0.42 3.58 2.47 -1.10 -4.93 114.94 122.60 2jqi s ASN 148 Ca 0.39 1.44 0.23 0.00 0.42 0.00 0.00 52.86 55.33 2jqi s ASN 148 Cb -0.20 -2.52 0.85 0.00 -1.45 0.00 0.00 41.25 37.92 2jqi s ASN 148 CO 0.23 -0.37 1.80 0.44 -3.72 0.00 0.00 177.10 175.48 2jqi h ASP 149 N 7.06 0.00 -0.66 -4.21 5.19 -1.91 -3.11 116.42 118.77 2jqi h ASP 149 Ca -0.33 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.12 2jqi h ASP 149 Cb 1.16 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.63 2jqi h ASP 149 CO 0.82 0.26 0.39 0.11 -3.12 0.00 0.00 179.24 177.71 2jqi h LYS 150 N 0.00 0.73 -0.92 3.56 1.79 -1.91 -1.70 116.57 118.12 2jqi h LYS 150 Ca -0.00 -0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.47 2jqi h LYS 150 Cb 0.79 -0.17 -0.06 0.00 -1.58 0.00 0.00 32.23 31.22 2jqi h LYS 150 CO 0.03 0.48 0.59 0.35 -1.08 0.00 0.00 179.45 179.83 2jqi h PHE 151 N 0.75 1.10 -0.28 -1.35 3.04 -1.74 -1.24 116.94 117.23 2jqi h PHE 151 Ca 0.28 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.20 2jqi h PHE 151 Cb 0.09 -0.36 -0.02 0.00 2.56 0.00 0.00 35.95 38.22 2jqi h PHE 151 CO -0.06 0.60 -0.09 0.87 -2.02 0.00 0.00 178.31 177.60 2jqi h LYS 152 N 1.11 0.45 -0.25 1.11 6.56 -1.44 -1.83 116.57 122.27 2jqi h LYS 152 Ca 0.38 -0.12 -0.03 0.00 -1.06 0.00 0.00 60.65 59.83 2jqi h LYS 152 Cb 0.09 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.69 2jqi h LYS 152 CO -0.15 0.55 0.03 0.37 -2.06 0.00 0.00 179.45 178.19 2jqi h GLN 153 N 0.42 0.42 -0.44 3.15 4.15 -0.49 0.25 115.11 122.57 2jqi h GLN 153 Ca 0.08 -0.12 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 2jqi h GLN 153 Cb 0.43 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 2jqi h GLN 153 CO 0.02 0.56 0.03 0.00 -1.93 0.00 0.00 178.83 177.51 2jqi h LEU 155 N 0.60 0.64 -1.07 0.00 6.46 -1.29 0.91 115.31 121.57 2jqi h LEU 155 Ca 0.13 -0.18 0.01 0.00 -0.12 0.00 0.00 57.88 57.72 2jqi h LEU 155 Cb 0.45 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.16 2jqi h LEU 155 CO 0.02 0.79 0.63 -0.33 -0.62 0.00 0.00 178.44 178.93 2jqi h GLU 156 N 0.60 1.24 0.05 1.25 4.39 -0.76 -3.00 114.58 118.35 2jqi h GLU 156 Ca 0.10 -0.07 -0.33 0.00 0.34 0.00 0.00 59.36 59.40 2jqi h GLU 156 Cb 0.56 -0.28 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 2jqi h GLU 156 CO 0.03 0.82 -1.91 1.04 -1.16 0.00 0.00 179.01 177.83 2jqi n GLN 157 N -4.40 0.69 -0.09 2.33 1.13 -1.07 -5.06 117.38 110.91 2jqi n GLN 157 Ca 0.11 0.26 0.01 0.00 -1.94 0.00 0.00 57.00 55.44 2jqi n GLN 157 Cb 0.03 -1.73 -0.00 0.00 0.11 0.00 0.00 30.24 28.65 2jqi n GLN 157 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 2jqi n ASN 158 N -3.21 -1.61 -4.77 1.08 0.23 0.31 -4.67 115.26 102.61 2jqi n ASN 158 Ca -0.26 0.09 -0.35 0.00 -0.53 0.00 0.00 54.58 53.54 2jqi n ASN 158 Cb 1.05 -0.35 0.01 0.00 -2.08 0.00 0.00 39.78 38.42 2jqi n ASN 158 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 2jqi s LYS 159 N -0.31 3.22 -0.20 -3.83 -2.85 -1.26 -4.95 119.74 109.56 2jqi s LYS 159 Ca 0.00 1.57 -0.29 0.00 -1.00 0.00 0.00 55.97 56.24 2jqi s LYS 159 Cb 0.00 -1.99 -0.02 0.00 -2.06 0.00 0.00 37.83 33.76 2jqi s LYS 159 CO 0.00 -0.94 1.41 0.54 0.10 0.00 0.00 175.35 176.45 2jqi s VAL 160 N -1.90 4.02 0.00 1.79 0.11 -1.26 -4.77 120.40 118.38 2jqi s VAL 160 Ca 0.72 1.19 0.00 0.00 -2.93 0.00 0.00 61.98 60.96 2jqi s VAL 160 Cb -0.23 -3.90 0.00 0.00 -1.53 0.00 0.00 36.38 30.72 2jqi s VAL 160 CO 0.30 -0.25 0.00 -0.67 -3.33 0.00 0.00 175.10 171.16 2jqi n ASP 161 N 7.34 0.21 -3.92 3.54 -0.08 -1.26 -5.14 116.55 117.25 2jqi n ASP 161 Ca 0.16 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.21 2jqi n ASP 161 Cb 0.45 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.83 2jqi n ASP 161 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jqi s ARG 162 N -1.87 1.81 -0.35 -0.67 1.70 -1.26 -5.12 118.95 113.18 2jqi s ARG 162 Ca 0.00 -2.08 -0.21 0.00 -0.47 0.00 0.00 55.73 52.97 2jqi s ARG 162 Cb 0.00 -0.28 0.00 0.00 -0.57 0.00 0.00 34.95 34.10 2jqi s ARG 162 CO 0.00 -0.51 0.68 0.42 -1.08 0.00 0.00 175.30 174.82 2jqi s ILE 163 N -3.36 4.85 -0.91 4.99 1.09 -1.26 -5.19 121.20 121.40 2jqi s ILE 163 Ca 0.30 0.73 0.07 0.00 -1.10 0.00 0.00 60.65 60.65 2jqi s ILE 163 Cb 0.03 -4.11 0.06 0.00 -1.06 0.00 0.00 42.46 37.38 2jqi s ILE 163 CO 0.18 -0.33 0.73 0.54 -0.10 0.00 0.00 174.94 175.97