#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 0.50 -0.05 0.00 -2.24 -1.26 -4.66 114.28 106.57 2jqi n THR 15 Ca 0.00 0.16 -0.15 0.00 -2.27 0.00 0.00 64.05 61.79 2jqi n THR 15 Cb 0.00 -1.07 -0.07 0.00 -2.10 0.00 0.00 70.33 67.09 2jqi n THR 15 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2jqi h GLN 16 N 0.00 0.62 -0.99 -0.78 1.08 -2.06 -3.11 115.11 109.87 2jqi h GLN 16 Ca 0.00 -0.42 0.02 0.00 -1.45 0.00 0.00 58.65 56.80 2jqi h GLN 16 Cb 0.00 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.44 2jqi h GLN 16 CO 0.00 1.04 0.65 0.00 -0.95 0.00 0.00 178.83 179.58 2jqi h ARG 17 N 0.29 1.26 -0.92 1.46 2.47 -2.00 -2.10 114.38 114.84 2jqi h ARG 17 Ca -0.00 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 2jqi h ARG 17 Cb 1.05 -0.28 -0.05 0.00 -1.65 0.00 0.00 29.97 29.04 2jqi h ARG 17 CO 0.10 0.83 0.59 0.35 0.56 0.00 0.00 179.97 182.40 2jqi h PHE 18 N 1.30 1.18 -0.49 3.04 3.57 -1.82 -0.78 116.94 122.93 2jqi h PHE 18 Ca 0.38 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.89 2jqi h PHE 18 Cb -0.07 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.25 2jqi h PHE 18 CO -0.00 0.76 0.30 1.25 -2.23 0.00 0.00 178.31 178.39 2jqi h LEU 19 N 1.26 0.59 -0.88 0.59 6.46 -1.32 -2.56 115.31 119.45 2jqi h LEU 19 Ca 0.33 -0.06 -0.10 0.00 -0.12 0.00 0.00 57.88 57.94 2jqi h LEU 19 Cb -0.11 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.66 2jqi h LEU 19 CO -0.07 0.47 -0.28 0.40 -0.62 0.00 0.00 178.44 178.34 2jqi h ILE 20 N 0.66 1.27 -0.73 4.05 1.08 -1.15 -2.83 117.51 119.86 2jqi h ILE 20 Ca 0.18 -1.34 0.08 0.00 -0.39 0.00 0.00 64.86 63.39 2jqi h ILE 20 Cb -0.01 1.39 -0.05 0.00 -3.07 0.00 0.00 36.82 35.08 2jqi h ILE 20 CO -0.03 0.42 0.48 -0.33 -0.69 0.00 0.00 178.15 178.00 2jqi h GLU 21 N 0.44 0.69 0.00 2.37 5.08 -0.74 0.18 114.58 122.59 2jqi h GLU 21 Ca 0.06 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2jqi h GLU 21 Cb 0.72 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2jqi h GLU 21 CO 0.06 0.46 -0.14 0.87 -1.00 0.00 0.00 179.01 179.25 2jqi h LYS 22 N 0.71 0.00 -0.36 2.33 1.57 -1.29 -3.00 116.57 116.52 2jqi h LYS 22 Ca 0.32 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.15 2jqi h LYS 22 Cb 0.34 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 2jqi h LYS 22 CO -0.11 0.14 0.13 0.35 -0.57 0.00 0.00 179.45 179.39 2jqi h PHE 23 N 0.00 0.22 -0.19 -1.35 3.57 -0.67 -2.82 116.94 115.70 2jqi h PHE 23 Ca -0.00 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 2jqi h PHE 23 Cb 0.48 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 2jqi h PHE 23 CO 0.00 0.09 -0.29 1.03 -2.23 0.00 0.00 178.31 176.92 2jqi h SER 24 N 0.28 0.58 -3.71 0.41 0.87 -1.59 -3.46 113.55 106.93 2jqi h SER 24 Ca 0.17 -0.52 -0.07 0.00 -1.23 0.00 0.00 61.79 60.14 2jqi h SER 24 Cb 0.14 -0.17 -0.23 0.00 -0.44 0.00 0.00 62.40 61.71 2jqi h SER 24 CO -0.17 0.99 -0.06 -1.58 -0.53 0.00 0.00 176.83 175.48 2jqi s GLN 25 N -4.16 0.64 -0.14 2.24 2.00 -1.06 -5.15 119.66 114.03 2jqi s GLN 25 Ca -0.13 0.87 -0.13 0.00 -2.00 0.00 0.00 55.36 53.97 2jqi s GLN 25 Cb 0.07 0.26 -0.05 0.00 0.80 0.00 0.00 33.01 34.09 2jqi s GLN 25 CO 0.80 -0.10 0.27 -1.21 -0.50 0.00 0.00 175.29 174.55 2jqi s GLU 26 N 0.64 4.10 -0.50 1.67 2.02 -1.23 -4.00 118.70 121.41 2jqi s GLU 26 Ca -0.03 0.08 -0.23 0.00 0.02 0.00 0.00 54.97 54.81 2jqi s GLU 26 Cb -0.05 -3.37 0.04 0.00 0.10 0.00 0.00 34.13 30.85 2jqi s GLU 26 CO -0.04 0.37 0.83 -0.65 0.02 0.00 0.00 175.26 175.79 2jqi s GLN 27 N 0.07 3.34 0.16 1.61 1.11 -1.26 -5.03 119.66 119.67 2jqi s GLN 27 Ca 0.16 -0.26 -0.27 0.00 0.01 0.00 0.00 55.36 55.00 2jqi s GLN 27 Cb -0.13 -4.01 -0.08 0.00 -1.01 0.00 0.00 33.01 27.79 2jqi s GLN 27 CO 0.05 -1.29 0.85 0.42 0.01 0.00 0.00 175.29 175.33 2jqi s ILE 28 N 3.49 4.35 0.00 1.08 -1.09 -1.26 -4.27 121.20 123.50 2jqi s ILE 28 Ca 0.28 1.87 0.00 0.00 -2.23 0.00 0.00 60.65 60.57 2jqi s ILE 28 Cb -0.13 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 2jqi s ILE 28 CO 0.20 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.98 2jqi n GLY 29 N 1.78 1.68 0.13 6.18 0.00 -1.26 -5.04 105.19 108.65 2jqi n GLY 29 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 0.35 0.00 1.61 4.22 -2.03 -3.44 114.58 115.28 2jqi h GLU 30 Ca 0.00 -0.47 0.00 0.00 0.08 0.00 0.00 59.36 58.97 2jqi h GLU 30 Cb 0.00 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2jqi h GLU 30 CO 0.00 1.17 0.00 0.09 -2.18 0.00 0.00 179.01 178.09 2jqi n ASN 31 N -4.18 0.00 -4.75 1.04 5.03 -1.26 -5.10 115.26 106.04 2jqi n ASN 31 Ca -0.12 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 54.92 2jqi n ASN 31 Cb 0.75 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.47 2jqi n ASN 31 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2jqi s ILE 32 N 0.00 3.52 -0.16 2.41 -1.09 -1.26 -1.07 121.20 123.55 2jqi s ILE 32 Ca 0.00 1.36 -0.12 0.00 -2.23 0.00 0.00 60.65 59.67 2jqi s ILE 32 Cb 0.00 -3.87 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 2jqi s ILE 32 CO 0.00 0.26 -0.19 0.52 -1.23 0.00 0.00 174.94 174.30 2jqi n VAL 33 N 2.01 1.44 -3.99 2.92 0.31 0.40 -4.42 118.33 117.00 2jqi n VAL 33 Ca 0.02 0.17 -0.10 0.00 -0.01 0.00 0.00 64.34 64.43 2jqi n VAL 33 Cb 0.45 -2.35 -0.07 0.00 -0.91 0.00 0.00 33.84 30.95 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 1.34 -0.23 0.00 0.52 0.37 -0.20 118.95 116.78 2jqi s ARG 35 Ca 0.18 -0.53 -0.07 0.00 -0.52 0.00 0.00 55.73 54.80 2jqi s ARG 35 Cb 0.04 -1.25 -0.03 0.00 0.52 0.00 0.00 34.95 34.23 2jqi s ARG 35 CO 0.01 0.27 0.07 0.54 0.02 0.00 0.00 175.30 176.21 2jqi s VAL 36 N -0.16 4.45 -0.12 3.52 0.11 -1.02 0.13 120.40 127.30 2jqi s VAL 36 Ca 0.02 -0.13 -0.00 0.00 -2.93 0.00 0.00 61.98 58.93 2jqi s VAL 36 Cb -0.08 -3.06 0.03 0.00 -1.53 0.00 0.00 36.38 31.74 2jqi s VAL 36 CO 0.00 0.37 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.44 2jqi s ILE 37 N 1.29 1.03 -0.53 7.04 1.01 0.25 -2.16 121.20 129.13 2jqi s ILE 37 Ca 0.05 -0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.09 2jqi s ILE 37 Cb -0.15 -1.07 0.03 0.00 0.01 0.00 0.00 42.46 41.28 2jqi s ILE 37 CO 0.04 0.34 1.17 0.00 0.00 0.00 0.00 174.94 176.49 2jqi h THR 39 N 6.20 0.85 0.00 0.00 1.35 -1.90 -2.79 112.91 116.62 2jqi h THR 39 Ca -0.24 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.14 2jqi h THR 39 Cb 1.06 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 2jqi h THR 39 CO 1.16 0.35 0.00 0.35 -0.25 0.00 0.00 175.52 177.13 2jqi n THR 40 N -3.52 0.00 -2.79 6.82 -2.24 -1.25 -4.95 114.28 106.35 2jqi n THR 40 Ca -0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.73 2jqi n THR 40 Cb 0.50 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.23 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 1.10 -1.21 0.90 3.38 0.00 -1.05 -4.99 105.19 103.31 2jqi n GLY 41 Ca 0.20 0.85 0.00 0.00 0.00 0.00 0.00 46.02 47.07 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 -0.85 0.00 -4.65 1.61 6.02 -1.26 -5.11 117.38 113.14 2jqi n GLN 42 Ca 0.07 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.73 2jqi n GLN 42 Cb 0.45 -0.20 -0.12 0.00 1.02 0.00 0.00 30.24 31.40 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 -1.45 3.49 0.24 5.09 1.01 -1.26 -4.97 121.20 123.35 2jqi s ILE 43 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.71 2jqi s ILE 43 Cb 0.00 -2.44 -0.09 0.00 0.01 0.00 0.00 42.46 39.94 2jqi s ILE 43 CO 0.00 0.53 1.19 -2.16 0.00 0.00 0.00 174.94 174.50 2jqi s PRO 44 N -0.98 4.52 0.29 2.79 0.04 -1.26 -4.21 135.00 136.19 2jqi s PRO 44 Ca 0.14 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 2jqi s PRO 44 Cb -0.11 -3.19 -0.13 0.00 0.04 0.00 0.00 34.50 31.11 2jqi s PRO 44 CO 0.03 -0.01 1.40 -0.89 0.04 0.00 0.00 177.00 177.57 2jqi n ILE 45 N 1.77 1.40 -4.44 0.56 5.41 -1.26 -4.90 119.36 117.89 2jqi n ILE 45 Ca 0.02 -0.35 -0.22 0.00 1.00 0.00 0.00 62.75 63.20 2jqi n ILE 45 Cb 0.44 -1.61 -0.10 0.00 -0.71 0.00 0.00 39.64 37.66 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 -1.04 1.59 -0.18 0.38 6.06 -0.92 -5.01 118.95 119.82 2jqi s ARG 46 Ca 0.62 -1.80 0.01 0.00 -2.50 0.00 0.00 55.73 52.06 2jqi s ARG 46 Cb -0.59 -1.27 0.02 0.00 0.06 0.00 0.00 34.95 33.17 2jqi s ARG 46 CO 0.55 0.08 -0.19 0.16 -2.50 0.00 0.00 175.30 173.40 2jqi s ASP 47 N -3.47 3.24 -0.18 -2.12 -4.77 -1.26 -2.43 116.67 105.68 2jqi s ASP 47 Ca 0.30 -0.66 -0.16 0.00 -3.30 0.00 0.00 52.55 48.73 2jqi s ASP 47 Cb 0.03 -1.50 -0.04 0.00 -1.09 0.00 0.00 42.92 40.32 2jqi s ASP 47 CO 0.12 -0.01 0.40 -0.76 0.70 0.00 0.00 175.17 175.62 2jqi s LEU 48 N 1.30 4.18 0.06 2.11 1.02 0.72 -5.00 118.68 123.07 2jqi s LEU 48 Ca 0.05 0.56 0.01 0.00 0.02 0.00 0.00 54.13 54.76 2jqi s LEU 48 Cb -0.13 -2.52 -0.04 0.00 0.02 0.00 0.00 46.19 43.52 2jqi s LEU 48 CO -0.12 -0.04 -0.06 -0.44 0.02 0.00 0.00 176.35 175.71 2jqi s SER 49 N 0.91 0.81 -0.07 2.29 0.01 -1.26 0.15 113.70 116.54 2jqi s SER 49 Ca 0.20 -0.85 -0.15 0.00 1.31 0.00 0.00 55.95 56.46 2jqi s SER 49 Cb -0.15 0.11 0.03 0.00 0.21 0.00 0.00 66.02 66.22 2jqi s SER 49 CO 0.08 -0.42 0.35 0.00 0.41 0.00 0.00 173.24 173.65 2jqi s ALA 50 N -2.96 -0.88 0.02 1.44 0.00 -0.23 -4.77 121.76 114.37 2jqi s ALA 50 Ca 0.03 0.67 -0.30 0.00 0.00 0.00 0.00 51.96 52.36 2jqi s ALA 50 Cb 0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 2jqi s ALA 50 CO -0.05 -0.23 1.18 -0.51 0.00 0.00 0.00 175.76 176.15 2jqi s ASP 51 N -0.67 7.10 0.12 0.00 1.01 -1.26 -4.71 116.67 118.26 2jqi s ASP 51 Ca -0.08 1.93 -0.16 0.00 0.71 0.00 0.00 52.55 54.94 2jqi s ASP 51 Cb -0.04 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2jqi s ASP 51 CO 0.03 -0.48 1.62 0.40 0.21 0.00 0.00 175.17 176.95 2jqi h ILE 52 N 4.68 1.22 -0.99 0.77 2.04 -1.99 -2.20 117.51 121.04 2jqi h ILE 52 Ca -0.40 -0.75 0.07 0.00 1.00 0.00 0.00 64.86 64.79 2jqi h ILE 52 Cb 1.20 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 38.24 2jqi h ILE 52 CO 0.82 0.26 0.64 0.77 0.00 0.00 0.00 178.15 180.64 2jqi h SER 53 N 0.43 1.01 -0.20 1.72 4.64 -1.99 0.21 113.55 119.38 2jqi h SER 53 Ca 0.11 0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.32 2jqi h SER 53 Cb 0.30 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2jqi h SER 53 CO 0.00 0.63 -0.30 1.56 -0.87 0.00 0.00 176.83 177.85 2jqi h GLN 54 N 1.14 0.69 -0.25 4.77 1.08 -1.94 -1.95 115.11 118.66 2jqi h GLN 54 Ca 0.44 -0.31 -0.18 0.00 -1.45 0.00 0.00 58.65 57.14 2jqi h GLN 54 Cb 0.20 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2jqi h GLN 54 CO -0.18 0.91 -0.56 0.28 -0.95 0.00 0.00 178.83 178.32 2jqi h VAL 55 N 0.59 1.29 -0.01 -0.54 2.07 -0.58 -1.51 116.25 117.56 2jqi h VAL 55 Ca 0.07 -1.77 -0.10 0.00 0.82 0.00 0.00 66.70 65.72 2jqi h VAL 55 Cb 0.81 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 2jqi h VAL 55 CO 0.07 0.57 -0.47 0.25 0.02 0.00 0.00 177.57 178.01 2jqi h LEU 56 N 0.60 0.02 0.07 2.57 5.85 -0.56 -3.26 115.31 120.60 2jqi h LEU 56 Ca 0.01 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jqi h LEU 56 Cb 1.16 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2jqi h LEU 56 CO 0.12 0.49 -0.03 0.11 -0.34 0.00 0.00 178.44 178.78 2jqi h LYS 57 N 0.02 -0.09 -6.25 1.25 1.79 -1.27 -3.43 116.57 108.59 2jqi h LYS 57 Ca -0.00 0.01 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 2jqi h LYS 57 Cb 0.83 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.47 2jqi h LYS 57 CO 0.06 0.43 1.01 -1.21 -1.08 0.00 0.00 179.45 178.66 2jqi s GLU 58 N -2.61 4.03 0.00 3.15 2.02 -0.58 -4.83 118.70 119.89 2jqi s GLU 58 Ca -0.12 1.66 0.00 0.00 0.02 0.00 0.00 54.97 56.53 2jqi s GLU 58 Cb -0.01 -3.90 0.00 0.00 0.10 0.00 0.00 34.13 30.32 2jqi s GLU 58 CO 0.44 -0.98 0.26 0.36 0.02 0.00 0.00 175.26 175.35 2jqi n LYS 59 N 7.14 1.71 -0.00 1.61 2.85 -1.26 -4.80 118.16 125.41 2jqi n LYS 59 Ca 0.16 -0.26 -0.00 0.00 -1.05 0.00 0.00 58.31 57.16 2jqi n LYS 59 Cb 0.45 -0.73 -0.00 0.00 -0.65 0.00 0.00 35.03 34.10 2jqi n LYS 59 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2jqi n ARG 60 N -0.32 0.01 -3.57 -1.58 1.74 -1.26 -5.01 116.66 106.67 2jqi n ARG 60 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 2jqi n ARG 60 Cb 0.03 -0.98 -0.02 0.00 -1.02 0.00 0.00 32.46 30.46 2jqi n ARG 60 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2jqi s SER 61 N -4.11 6.34 0.62 0.55 1.04 -1.26 -5.07 113.70 111.80 2jqi s SER 61 Ca -0.01 0.40 -0.18 0.00 0.48 0.00 0.00 55.95 56.64 2jqi s SER 61 Cb 0.00 -2.01 -0.02 0.00 0.10 0.00 0.00 66.02 64.09 2jqi s SER 61 CO 0.01 -0.17 1.23 -0.51 0.98 0.00 0.00 173.24 174.79 2jqi s ILE 62 N -2.09 2.44 -0.02 -1.02 1.10 -1.26 -4.90 121.20 115.45 2jqi s ILE 62 Ca 0.39 0.27 -0.01 0.00 -0.51 0.00 0.00 60.65 60.79 2jqi s ILE 62 Cb -0.10 -3.08 -0.00 0.00 0.15 0.00 0.00 42.46 39.42 2jqi s ILE 62 CO 0.32 -0.06 -0.02 0.11 -2.11 0.00 0.00 174.94 173.17 2jqi h LYS 63 N 0.70 0.00 -2.41 3.50 6.56 -1.89 -3.50 116.57 119.53 2jqi h LYS 63 Ca -0.50 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.01 2jqi h LYS 63 Cb 1.31 0.00 -0.23 0.00 -0.57 0.00 0.00 32.23 32.74 2jqi h LYS 63 CO 0.54 0.00 -0.11 0.21 -2.06 0.00 0.00 179.45 178.04 2jqi s LYS 64 N -1.19 0.60 -0.01 3.15 2.20 -1.18 -5.03 119.74 118.27 2jqi s LYS 64 Ca -0.02 0.82 0.04 0.00 -0.36 0.00 0.00 55.97 56.45 2jqi s LYS 64 Cb 0.00 0.23 -0.01 0.00 -1.51 0.00 0.00 37.83 36.54 2jqi s LYS 64 CO 0.03 -0.10 -0.13 0.08 -0.36 0.00 0.00 175.35 174.87 2jqi s VAL 65 N 0.66 1.01 -0.10 4.02 1.01 -1.26 -0.77 120.40 124.98 2jqi s VAL 65 Ca -0.03 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 2jqi s VAL 65 Cb -0.05 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2jqi s VAL 65 CO -0.04 0.29 0.03 0.26 0.00 0.00 0.00 175.10 175.64 2jqi s TRP 66 N -0.21 3.26 -0.12 5.22 0.51 0.51 -4.90 118.94 123.21 2jqi s TRP 66 Ca 0.03 0.26 -0.00 0.00 -2.12 0.00 0.00 56.10 54.27 2jqi s TRP 66 Cb -0.06 -1.83 -0.02 0.00 -0.81 0.00 0.00 33.47 30.75 2jqi s TRP 66 CO -0.00 0.51 -0.11 0.99 -0.51 0.00 0.00 176.95 177.83 2jqi s THR 67 N -0.86 3.27 0.06 2.01 2.01 -1.26 0.19 115.64 121.07 2jqi s THR 67 Ca 0.13 -0.59 0.09 0.00 0.31 0.00 0.00 61.69 61.63 2jqi s THR 67 Cb -0.12 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.99 2jqi s THR 67 CO 0.03 0.53 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.88 2jqi s PHE 68 N 0.10 2.36 -4.84 4.92 0.40 0.54 0.21 117.98 121.67 2jqi s PHE 68 Ca -0.05 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 2jqi s PHE 68 Cb -0.14 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 42.01 2jqi s PHE 68 CO 0.04 0.19 0.00 0.41 0.70 0.00 0.00 175.22 176.56 2jqi n GLY 69 N 1.56 -1.20 0.06 4.36 0.00 -0.50 0.15 105.19 109.62 2jqi n GLY 69 Ca -0.17 -1.19 0.11 0.00 0.00 0.00 0.00 46.02 44.77 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 1.08 -2.97 1.61 1.74 0.32 -0.82 116.66 117.62 2jqi n ARG 70 Ca 0.00 -0.12 -0.40 0.00 -0.77 0.00 0.00 57.85 56.56 2jqi n ARG 70 Cb 0.00 -1.34 -0.05 0.00 -1.02 0.00 0.00 32.46 30.05 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 -1.67 7.15 0.25 0.55 3.84 0.14 -4.74 114.94 120.46 2jqi s ASN 71 Ca 0.32 1.38 0.21 0.00 0.21 0.00 0.00 52.86 54.98 2jqi s ASN 71 Cb 0.15 -2.46 0.98 0.00 -0.55 0.00 0.00 41.25 39.37 2jqi s ASN 71 CO 0.25 -0.07 1.65 -2.65 -2.79 0.00 0.00 177.10 173.49 2jqi n PRO 72 N 3.32 0.16 0.05 0.43 -0.02 -1.26 -1.92 135.00 135.76 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 -1.14 3.55 0.00 -1.95 -3.47 119.26 118.47 2jqi h ALA 73 Ca 0.00 -0.93 -0.67 0.00 0.00 0.00 0.00 54.91 53.31 2jqi h ALA 73 Cb 0.22 0.31 0.10 0.00 0.00 0.00 0.00 17.79 18.42 2jqi h ALA 73 CO 0.00 0.68 -0.38 0.00 0.00 0.00 0.00 179.25 179.55 2jqi h ASP 75 N 1.37 0.00 -3.35 0.00 3.32 0.22 -3.36 116.42 114.61 2jqi h ASP 75 Ca -0.32 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.18 2jqi h ASP 75 Cb 1.42 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.59 2jqi h ASP 75 CO 0.59 0.00 -0.79 -0.47 -1.72 0.00 0.00 179.24 176.85 2jqi s TYR 76 N -3.98 1.65 -0.50 4.55 5.04 0.12 -4.92 117.35 119.32 2jqi s TYR 76 Ca -0.04 -1.10 -0.23 0.00 -2.44 0.00 0.00 57.07 53.27 2jqi s TYR 76 Cb 0.10 -1.29 0.04 0.00 0.35 0.00 0.00 41.96 41.15 2jqi s TYR 76 CO 0.30 -0.62 0.83 -1.58 -1.34 0.00 0.00 175.55 173.14 2jqi s HIS 77 N 1.65 2.92 0.00 4.97 2.46 -1.26 -1.41 115.29 124.62 2jqi s HIS 77 Ca -0.00 0.02 0.00 0.00 0.47 0.00 0.00 55.06 55.55 2jqi s HIS 77 Cb -0.16 -3.81 0.00 0.00 -0.13 0.00 0.00 32.58 28.48 2jqi s HIS 77 CO -0.07 -1.13 0.01 1.28 -2.47 0.00 0.00 174.74 172.35 2jqi n LEU 78 N 6.95 2.93 0.00 8.88 4.32 -0.00 -4.72 117.00 135.36 2jqi n LEU 78 Ca 0.01 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 2jqi n LEU 78 Cb 0.48 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 2jqi n LEU 78 CO 0.60 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.38 2jqi n GLY 79 N 2.47 -1.95 2.37 -0.72 0.00 -1.26 -4.73 105.19 101.37 2jqi n GLY 79 Ca 0.00 0.74 -0.02 0.00 0.00 0.00 0.00 46.02 46.74 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 -0.81 -4.64 1.61 6.94 -1.26 -4.84 115.26 112.25 2jqi n ASN 80 Ca 0.00 -1.44 -0.42 0.00 -0.02 0.00 0.00 54.58 52.70 2jqi n ASN 80 Cb 0.00 0.75 -0.04 0.00 -2.36 0.00 0.00 39.78 38.13 2jqi n ASN 80 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2jqi s ILE 81 N 0.01 4.78 0.53 1.53 1.09 -1.26 -4.92 121.20 122.97 2jqi s ILE 81 Ca 0.01 1.56 0.25 0.00 -1.10 0.00 0.00 60.65 61.38 2jqi s ILE 81 Cb 0.03 -4.17 0.39 0.00 -1.06 0.00 0.00 42.46 37.66 2jqi s ILE 81 CO -0.01 -0.15 2.00 0.77 -0.10 0.00 0.00 174.94 177.45 2jqi h SER 82 N 7.77 0.00 0.56 3.58 4.64 -2.00 0.22 113.55 128.31 2jqi h SER 82 Ca -0.23 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.03 2jqi h SER 82 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 2jqi h SER 82 CO 0.90 0.00 -0.30 0.03 -0.87 0.00 0.00 176.83 176.59 2jqi h ARG 83 N 0.00 0.00 -6.06 4.77 2.47 -1.91 -3.43 114.38 110.21 2jqi h ARG 83 Ca 0.24 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 58.35 2jqi h ARG 83 Cb 0.99 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.25 2jqi h ARG 83 CO -0.00 0.30 -0.54 -0.51 0.56 0.00 0.00 179.97 179.77 2jqi s LEU 84 N -7.49 4.08 0.43 3.04 1.43 0.76 -4.41 118.68 116.52 2jqi s LEU 84 Ca -0.02 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 2jqi s LEU 84 Cb 0.13 -2.71 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 2jqi s LEU 84 CO 0.67 0.14 0.64 -0.44 0.23 0.00 0.00 176.35 177.59 2jqi s SER 85 N -2.62 5.89 0.24 2.29 0.01 -1.26 -4.70 113.70 113.54 2jqi s SER 85 Ca 0.32 0.25 -0.15 0.00 1.31 0.00 0.00 55.95 57.68 2jqi s SER 85 Cb -0.12 -1.55 0.29 0.00 0.21 0.00 0.00 66.02 64.85 2jqi s SER 85 CO 0.25 -0.63 1.57 0.78 0.41 0.00 0.00 173.24 175.62 2jqi h ASN 86 N 0.49 -1.16 -3.41 2.44 2.35 -1.92 -2.41 115.58 111.96 2jqi h ASN 86 Ca -0.46 0.28 -0.63 0.00 -0.55 0.00 0.00 56.30 54.94 2jqi h ASN 86 Cb 1.25 0.65 -0.42 0.00 0.05 0.00 0.00 38.32 39.86 2jqi h ASN 86 CO 0.57 -0.30 -0.58 -1.59 -1.65 0.00 0.00 177.43 173.88 2jqi s LYS 87 N -6.08 2.36 0.13 0.81 -2.85 -1.26 0.12 119.74 112.96 2jqi s LYS 87 Ca -0.14 -3.18 -0.18 0.00 -1.00 0.00 0.00 55.97 51.46 2jqi s LYS 87 Cb 0.22 -3.40 -0.04 0.00 -2.06 0.00 0.00 37.83 32.54 2jqi s LYS 87 CO 0.73 -1.24 1.75 1.25 0.10 0.00 0.00 175.35 177.94 2jqi h HIS 88 N 5.65 0.36 -3.96 1.78 2.76 0.18 -3.35 115.15 118.57 2jqi h HIS 88 Ca 0.09 -0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.16 2jqi h HIS 88 Cb 0.79 -0.12 -0.15 0.00 1.55 0.00 0.00 27.41 29.48 2jqi h HIS 88 CO 0.65 0.27 -0.50 -0.59 -1.30 0.00 0.00 177.93 176.45 2jqi s PHE 89 N -5.99 0.29 -0.01 5.26 -0.71 -0.37 0.15 117.98 116.61 2jqi s PHE 89 Ca -0.13 -0.74 0.01 0.00 -1.04 0.00 0.00 56.93 55.03 2jqi s PHE 89 Cb 0.09 -0.19 0.00 0.00 -1.21 0.00 0.00 43.02 41.71 2jqi s PHE 89 CO 0.71 -0.46 -0.05 -1.14 -1.34 0.00 0.00 175.22 172.94 2jqi s GLN 90 N -3.69 0.42 -0.15 1.99 0.74 0.43 0.20 119.66 119.61 2jqi s GLN 90 Ca 0.04 -0.15 -0.02 0.00 0.05 0.00 0.00 55.36 55.28 2jqi s GLN 90 Cb 0.05 -0.43 -0.02 0.00 1.10 0.00 0.00 33.01 33.72 2jqi s GLN 90 CO -0.10 0.08 -0.10 0.42 -0.55 0.00 0.00 175.29 175.04 2jqi s ILE 91 N 0.04 3.30 -0.00 -2.34 1.01 0.52 0.17 121.20 123.90 2jqi s ILE 91 Ca 0.00 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.13 2jqi s ILE 91 Cb -0.04 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 2jqi s ILE 91 CO -0.00 0.50 -0.12 -1.48 0.00 0.00 0.00 174.94 173.84 2jqi s LEU 92 N 0.50 2.89 -0.09 2.97 0.05 0.65 0.19 118.68 125.83 2jqi s LEU 92 Ca -0.07 -0.24 0.04 0.00 0.05 0.00 0.00 54.13 53.91 2jqi s LEU 92 Cb -0.15 -1.66 0.00 0.00 -2.05 0.00 0.00 46.19 42.34 2jqi s LEU 92 CO 0.04 0.29 -0.21 -0.22 -0.55 0.00 0.00 176.35 175.70 2jqi s LEU 93 N -1.23 1.98 0.00 1.48 2.96 0.05 0.63 118.68 124.56 2jqi s LEU 93 Ca 0.15 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 2jqi s LEU 93 Cb -0.11 -1.27 0.00 0.00 0.50 0.00 0.00 46.19 45.31 2jqi s LEU 93 CO 0.05 0.13 0.00 0.61 -1.32 0.00 0.00 176.35 175.82 2jqi n GLY 94 N 3.60 -0.53 5.19 7.98 0.00 -1.02 -2.82 105.19 117.59 2jqi n GLY 94 Ca -0.20 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2jqi n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jqi n GLU 95 N 0.00 0.00 -1.98 1.61 -0.58 -1.26 -1.85 120.64 116.58 2jqi n GLU 95 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 2jqi n GLU 95 Cb 0.00 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 30.93 2jqi n GLU 95 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2jqi n ASP 96 N 1.75 -1.06 0.00 1.62 -0.08 -1.26 -4.97 116.55 112.55 2jqi n ASP 96 Ca 0.00 -1.86 0.00 0.00 -1.51 0.00 0.00 54.79 51.42 2jqi n ASP 96 Cb 0.00 0.46 0.00 0.00 2.34 0.00 0.00 41.12 43.92 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 -0.87 1.56 2.71 0.27 0.00 -0.77 -5.11 105.19 102.97 2jqi n GLY 97 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 2jqi n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jqi n ASN 98 N 0.00 1.48 -4.36 1.61 3.02 -1.01 -5.03 115.26 110.98 2jqi n ASN 98 Ca 0.00 -2.74 -0.30 0.00 -0.03 0.00 0.00 54.58 51.51 2jqi n ASN 98 Cb 0.00 0.74 -0.15 0.00 -0.61 0.00 0.00 39.78 39.76 2jqi n ASN 98 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2jqi s LEU 99 N 0.00 2.23 0.05 3.41 0.20 -1.26 -2.43 118.68 120.88 2jqi s LEU 99 Ca 0.14 -0.54 0.07 0.00 0.69 0.00 0.00 54.13 54.48 2jqi s LEU 99 Cb 0.01 -1.34 -0.02 0.00 -0.43 0.00 0.00 46.19 44.41 2jqi s LEU 99 CO 0.10 0.27 -0.18 -0.76 -0.29 0.00 0.00 176.35 175.48 2jqi s LEU 100 N -1.18 2.18 -0.18 -0.68 2.01 0.20 -1.73 118.68 119.29 2jqi s LEU 100 Ca 0.12 -0.51 -0.03 0.00 0.01 0.00 0.00 54.13 53.73 2jqi s LEU 100 Cb -0.10 -0.84 -0.01 0.00 0.01 0.00 0.00 46.19 45.24 2jqi s LEU 100 CO 0.02 0.11 -0.07 -0.76 1.01 0.00 0.00 176.35 176.66 2jqi s LEU 101 N -1.20 2.86 -0.23 1.79 1.43 -0.02 -0.26 118.68 123.05 2jqi s LEU 101 Ca 0.05 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 2jqi s LEU 101 Cb -0.09 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.47 2jqi s LEU 101 CO 0.02 0.06 -0.12 0.21 0.23 0.00 0.00 176.35 176.74 2jqi s ASN 102 N 1.01 3.95 0.26 2.29 2.47 0.46 -2.07 114.94 123.31 2jqi s ASN 102 Ca -0.00 -0.92 -0.30 0.00 0.42 0.00 0.00 52.86 52.06 2jqi s ASN 102 Cb -0.15 -1.57 -0.09 0.00 -1.45 0.00 0.00 41.25 37.99 2jqi s ASN 102 CO -0.00 -0.10 1.04 1.51 -3.72 0.00 0.00 177.10 175.83 2jqi s ASP 103 N 1.26 7.41 -0.29 -4.21 1.47 -1.25 0.16 116.67 121.22 2jqi s ASP 103 Ca -0.00 2.15 0.19 0.00 1.18 0.00 0.00 52.55 56.07 2jqi s ASP 103 Cb -0.16 -2.62 0.47 0.00 -0.34 0.00 0.00 42.92 40.26 2jqi s ASP 103 CO -0.07 -0.03 1.29 2.30 0.68 0.00 0.00 175.17 179.33 2jqi n ILE 104 N 1.30 0.75 -3.89 2.11 -5.35 -0.42 0.18 119.36 114.04 2jqi n ILE 104 Ca -0.01 -2.13 -0.29 0.00 -0.27 0.00 0.00 62.75 60.05 2jqi n ILE 104 Cb 0.46 1.18 -0.04 0.00 -1.74 0.00 0.00 39.64 39.50 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 -2.71 6.36 0.31 7.28 0.01 0.41 -4.22 113.70 121.14 2jqi s SER 105 Ca 0.20 0.26 0.09 0.00 1.31 0.00 0.00 55.95 57.81 2jqi s SER 105 Cb 0.37 -1.95 0.52 0.00 0.21 0.00 0.00 66.02 65.16 2jqi s SER 105 CO -0.08 0.10 1.73 0.74 0.41 0.00 0.00 173.24 176.14 2jqi h THR 106 N 1.86 1.31 0.00 1.44 2.02 -1.87 -3.16 112.91 114.50 2jqi h THR 106 Ca -0.47 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 65.20 2jqi h THR 106 Cb 1.18 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2jqi h THR 106 CO 0.72 0.44 -1.81 0.59 0.37 0.00 0.00 175.52 175.84 2jqi n ASN 107 N -4.02 0.16 0.00 4.18 3.02 -1.26 -5.09 115.26 112.24 2jqi n ASN 107 Ca -0.02 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2jqi n ASN 107 Cb 0.47 1.71 0.00 0.00 -0.61 0.00 0.00 39.78 41.35 2jqi n ASN 107 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jqi n GLY 108 N 1.25 3.23 3.36 7.41 0.00 -1.20 -4.87 105.19 114.37 2jqi n GLY 108 Ca -0.03 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.65 2.49 0.09 2.61 2.01 -1.26 -4.36 115.64 114.57 2jqi s THR 109 Ca 0.00 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.15 2jqi s THR 109 Cb 0.00 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 2jqi s THR 109 CO 0.00 0.58 -0.15 0.26 -0.69 0.00 0.00 174.62 174.62 2jqi s TRP 110 N -0.46 2.62 -0.21 4.92 0.51 0.37 -2.45 118.94 124.25 2jqi s TRP 110 Ca 0.05 -0.22 0.01 0.00 -2.12 0.00 0.00 56.10 53.83 2jqi s TRP 110 Cb -0.12 -1.41 0.05 0.00 -0.81 0.00 0.00 33.47 31.18 2jqi s TRP 110 CO 0.01 0.37 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.56 2jqi s LEU 111 N -1.97 2.42 -1.68 2.99 2.96 0.92 0.14 118.68 124.45 2jqi s LEU 111 Ca 0.18 -0.98 -0.14 0.00 -0.22 0.00 0.00 54.13 52.97 2jqi s LEU 111 Cb -0.11 -1.25 0.13 0.00 0.50 0.00 0.00 46.19 45.46 2jqi s LEU 111 CO 0.10 -0.16 0.55 0.59 -1.32 0.00 0.00 176.35 176.11 2jqi n ASN 112 N 4.66 -1.75 0.00 3.68 3.02 -1.06 0.80 115.26 124.61 2jqi n ASN 112 Ca -0.14 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 2jqi n ASN 112 Cb 0.46 -2.31 0.00 0.00 -0.61 0.00 0.00 39.78 37.32 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 -1.59 2.24 3.47 7.41 0.00 -1.26 -5.01 105.19 110.45 2jqi n GLY 113 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.43 3.59 0.04 1.61 1.11 0.24 -5.06 119.66 120.75 2jqi s GLN 114 Ca 0.00 -0.54 -0.31 0.00 0.01 0.00 0.00 55.36 54.53 2jqi s GLN 114 Cb 0.00 -3.46 -0.06 0.00 -1.01 0.00 0.00 33.01 28.48 2jqi s GLN 114 CO 0.00 -0.26 1.37 0.21 0.01 0.00 0.00 175.29 176.62 2jqi s LYS 115 N 1.64 4.31 0.40 2.91 2.20 -1.26 -0.06 119.74 129.88 2jqi s LYS 115 Ca 0.06 1.97 0.03 0.00 -0.36 0.00 0.00 55.97 57.67 2jqi s LYS 115 Cb -0.16 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 2jqi s LYS 115 CO 0.06 -0.50 0.58 0.14 -0.36 0.00 0.00 175.35 175.27 2jqi s VAL 116 N 1.88 4.10 0.01 4.02 -7.23 -1.02 -4.92 120.40 117.23 2jqi s VAL 116 Ca 0.63 -0.69 -0.30 0.00 -1.81 0.00 0.00 61.98 59.81 2jqi s VAL 116 Cb -0.33 -3.48 -0.06 0.00 0.56 0.00 0.00 36.38 33.08 2jqi s VAL 116 CO 0.28 -0.27 1.44 -1.61 -0.31 0.00 0.00 175.10 174.62 2jqi s GLU 117 N -4.39 4.27 1.00 4.82 2.02 -1.26 -4.65 118.70 120.50 2jqi s GLU 117 Ca 0.46 2.02 -0.14 0.00 0.02 0.00 0.00 54.97 57.33 2jqi s GLU 117 Cb -0.10 -3.59 0.07 0.00 0.10 0.00 0.00 34.13 30.61 2jqi s GLU 117 CO 0.35 -0.61 0.36 1.17 0.02 0.00 0.00 175.26 176.56 2jqi n LYS 118 N 5.47 -0.72 -2.87 1.61 4.81 -1.26 -2.28 118.16 122.93 2jqi n LYS 118 Ca 0.14 -0.17 -0.17 0.00 -0.87 0.00 0.00 58.31 57.24 2jqi n LYS 118 Cb 0.43 -1.86 -0.03 0.00 0.02 0.00 0.00 35.03 33.60 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 -1.70 -1.02 -4.57 3.14 3.02 0.47 -4.85 115.26 109.75 2jqi n ASN 119 Ca 0.05 -0.34 -0.32 0.00 -0.03 0.00 0.00 54.58 53.95 2jqi n ASN 119 Cb 0.56 -0.93 -0.11 0.00 -0.61 0.00 0.00 39.78 38.69 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 -2.06 4.44 -0.09 6.41 0.15 -0.97 -4.91 113.70 116.68 2jqi s SER 120 Ca 0.33 -0.22 -0.22 0.00 0.70 0.00 0.00 55.95 56.53 2jqi s SER 120 Cb -0.19 -0.96 -0.04 0.00 -1.71 0.00 0.00 66.02 63.12 2jqi s SER 120 CO 0.40 0.26 0.65 0.20 1.20 0.00 0.00 173.24 175.95 2jqi s ASN 121 N -1.52 6.89 0.05 5.45 -0.87 -1.26 -3.88 114.94 119.80 2jqi s ASN 121 Ca 0.17 1.07 0.05 0.00 -1.57 0.00 0.00 52.86 52.58 2jqi s ASN 121 Cb -0.11 -2.38 -0.02 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 -2.57 0.00 0.00 177.10 173.24 2jqi s GLN 122 N 0.91 0.97 -0.02 -0.60 -1.52 -0.88 -4.92 119.66 113.60 2jqi s GLN 122 Ca 0.34 -0.84 -0.30 0.00 -1.95 0.00 0.00 55.36 52.60 2jqi s GLN 122 Cb -0.17 -1.01 -0.05 0.00 -0.22 0.00 0.00 33.01 31.57 2jqi s GLN 122 CO 0.15 0.24 1.31 -1.17 -0.25 0.00 0.00 175.29 175.58 2jqi s LEU 123 N -1.32 4.30 0.79 2.90 0.20 -1.26 -0.84 118.68 123.45 2jqi s LEU 123 Ca 0.02 1.99 -0.14 0.00 0.69 0.00 0.00 54.13 56.68 2jqi s LEU 123 Cb -0.09 -3.56 0.06 0.00 -0.43 0.00 0.00 46.19 42.17 2jqi s LEU 123 CO 0.02 -0.66 1.06 -0.11 -0.29 0.00 0.00 176.35 176.37 2jqi n LEU 124 N 5.27 3.73 -4.32 -0.68 7.94 -0.71 -4.88 117.00 123.35 2jqi n LEU 124 Ca 0.12 0.59 -0.23 0.00 -1.11 0.00 0.00 56.01 55.38 2jqi n LEU 124 Cb 0.45 -1.45 -0.12 0.00 0.53 0.00 0.00 43.42 42.83 2jqi n LEU 124 CO 0.57 -1.97 -0.50 -0.55 -1.11 0.00 0.00 177.39 173.83 2jqi s SER 125 N -1.96 2.66 -0.07 1.96 0.15 -1.26 -5.00 113.70 110.18 2jqi s SER 125 Ca 0.72 -0.79 -0.30 0.00 0.70 0.00 0.00 55.95 56.28 2jqi s SER 125 Cb -0.30 -0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 63.81 2jqi s SER 125 CO 0.52 0.01 1.40 -1.58 1.20 0.00 0.00 173.24 174.79 2jqi s GLN 126 N -2.43 4.25 -2.11 5.44 -0.44 -1.26 -2.45 119.66 120.66 2jqi s GLN 126 Ca 0.12 1.90 0.00 0.00 -2.50 0.00 0.00 55.36 54.88 2jqi s GLN 126 Cb -0.08 -3.72 0.00 0.00 -1.64 0.00 0.00 33.01 27.57 2jqi s GLN 126 CO 0.06 -0.66 0.00 0.41 0.50 0.00 0.00 175.29 175.59 2jqi n GLY 127 N 3.72 1.48 3.26 2.59 0.00 -1.03 -4.94 105.19 110.27 2jqi n GLY 127 Ca 0.14 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.46 -2.41 -3.78 1.61 2.03 -1.02 -4.45 116.55 107.06 2jqi n ASP 128 Ca -0.21 -0.14 -0.13 0.00 0.52 0.00 0.00 54.79 54.83 2jqi n ASP 128 Cb 0.68 -0.93 -0.13 0.00 -0.72 0.00 0.00 41.12 40.02 2jqi n ASP 128 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2jqi s GLU 129 N -3.40 0.19 -0.12 -0.67 2.12 -1.26 0.66 118.70 116.21 2jqi s GLU 129 Ca 0.55 0.35 0.02 0.00 0.36 0.00 0.00 54.97 56.25 2jqi s GLU 129 Cb -0.11 -0.01 -0.00 0.00 0.26 0.00 0.00 34.13 34.27 2jqi s GLU 129 CO 0.65 -0.09 -0.20 0.42 -0.54 0.00 0.00 175.26 175.50 2jqi s ILE 130 N 0.61 2.33 -0.07 -3.70 1.01 0.36 -2.57 121.20 119.17 2jqi s ILE 130 Ca -0.04 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.67 2jqi s ILE 130 Cb -0.06 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 2jqi s ILE 130 CO -0.03 0.54 0.06 -0.89 0.00 0.00 0.00 174.94 174.62 2jqi s THR 131 N 0.54 4.74 0.05 2.92 2.01 0.38 0.66 115.64 126.93 2jqi s THR 131 Ca -0.12 -0.18 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 2jqi s THR 131 Cb -0.17 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 2jqi s THR 131 CO 0.04 0.54 -0.02 0.68 -0.69 0.00 0.00 174.62 175.17 2jqi s VAL 132 N -1.01 0.20 0.00 3.82 -7.23 0.25 0.14 120.40 116.57 2jqi s VAL 132 Ca 0.16 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 2jqi s VAL 132 Cb -0.12 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.52 2jqi s VAL 132 CO 0.06 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.55 2jqi n GLY 133 N 0.35 0.77 3.79 2.32 0.00 -1.26 0.52 105.19 111.68 2jqi n GLY 133 Ca -0.16 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.91 4.47 0.00 1.61 1.01 -1.26 -3.17 120.40 120.14 2jqi s VAL 134 Ca 0.00 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.53 2jqi s VAL 134 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2jqi s VAL 134 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 2jqi n GLY 135 N 1.53 2.69 2.98 4.51 0.00 -1.26 -5.00 105.19 110.64 2jqi n GLY 135 Ca -0.06 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 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 1.37 0.55 1.61 1.01 -1.26 -5.01 120.40 118.66 2jqi s VAL 136 Ca 0.00 -0.51 0.33 0.00 0.00 0.00 0.00 61.98 61.80 2jqi s VAL 136 Cb 0.00 -1.31 0.49 0.00 0.00 0.00 0.00 36.38 35.56 2jqi s VAL 136 CO 0.00 0.42 1.86 -0.08 0.00 0.00 0.00 175.10 177.30 2jqi h GLU 137 N 8.05 0.00 -0.34 2.72 4.81 -1.98 0.73 114.58 128.57 2jqi h GLU 137 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2jqi h GLU 137 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2jqi h GLU 137 CO 0.48 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.63 2jqi n SER 138 N -4.17 2.46 -1.16 1.04 3.41 -1.26 -4.21 113.62 109.72 2jqi n SER 138 Ca 0.19 -1.89 0.04 0.00 -0.26 0.00 0.00 58.87 56.96 2jqi n SER 138 Cb 1.01 -0.22 0.10 0.00 -0.26 0.00 0.00 64.21 64.85 2jqi n SER 138 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2jqi n ASP 139 N 0.84 1.44 -4.67 4.04 -0.08 0.25 -5.05 116.55 113.32 2jqi n ASP 139 Ca 0.17 -2.89 -0.35 0.00 -1.51 0.00 0.00 54.79 50.21 2jqi n ASP 139 Cb 0.43 -0.41 -0.10 0.00 2.34 0.00 0.00 41.12 43.38 2jqi n ASP 139 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2jqi s ILE 140 N -1.67 4.27 -0.06 5.18 1.01 -1.18 -4.47 121.20 124.28 2jqi s ILE 140 Ca 0.36 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.80 2jqi s ILE 140 Cb 0.38 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 2jqi s ILE 140 CO -0.12 0.60 -0.22 -0.22 0.00 0.00 0.00 174.94 174.98 2jqi s LEU 141 N -0.77 2.01 0.10 2.97 0.20 0.18 -4.97 118.68 118.40 2jqi s LEU 141 Ca 0.12 -0.46 0.05 0.00 0.69 0.00 0.00 54.13 54.53 2jqi s LEU 141 Cb -0.11 -1.23 -0.04 0.00 -0.43 0.00 0.00 46.19 44.37 2jqi s LEU 141 CO 0.02 0.20 0.01 -0.55 -0.29 0.00 0.00 176.35 175.74 2jqi s SER 142 N -0.01 5.07 0.03 3.68 0.15 -1.26 0.87 113.70 122.23 2jqi s SER 142 Ca -0.06 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.43 2jqi s SER 142 Cb -0.14 -1.22 -0.02 0.00 -1.71 0.00 0.00 66.02 62.94 2jqi s SER 142 CO 0.04 0.16 -0.07 -0.76 1.20 0.00 0.00 173.24 173.81 2jqi s LEU 143 N -2.40 2.20 -0.02 3.45 1.43 0.21 -3.57 118.68 119.98 2jqi s LEU 143 Ca 0.26 -0.45 0.08 0.00 -1.03 0.00 0.00 54.13 52.99 2jqi s LEU 143 Cb -0.11 -0.20 -0.02 0.00 0.03 0.00 0.00 46.19 45.89 2jqi s LEU 143 CO 0.19 -0.14 -0.26 -0.69 0.23 0.00 0.00 176.35 175.68 2jqi s VAL 144 N -1.11 2.06 -0.18 -1.59 1.01 0.35 0.13 120.40 121.08 2jqi s VAL 144 Ca -0.07 -1.10 -0.06 0.00 0.00 0.00 0.00 61.98 60.75 2jqi s VAL 144 Cb -0.08 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 2jqi s VAL 144 CO 0.00 0.58 0.02 -0.63 0.00 0.00 0.00 175.10 175.08 2jqi s ILE 145 N -0.60 4.38 -0.26 2.22 1.01 0.21 0.84 121.20 129.01 2jqi s ILE 145 Ca 0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.55 2jqi s ILE 145 Cb -0.10 -2.96 0.03 0.00 0.01 0.00 0.00 42.46 39.43 2jqi s ILE 145 CO -0.01 0.46 -0.04 -0.36 0.00 0.00 0.00 174.94 174.98 2jqi s PHE 146 N 0.53 3.09 0.03 3.97 0.40 0.34 -2.45 117.98 123.89 2jqi s PHE 146 Ca 0.01 -1.52 -0.25 0.00 -0.60 0.00 0.00 56.93 54.57 2jqi s PHE 146 Cb -0.13 -2.08 -0.05 0.00 0.51 0.00 0.00 43.02 41.27 2jqi s PHE 146 CO 0.02 -0.72 0.77 0.42 0.70 0.00 0.00 175.22 176.40 2jqi s ILE 147 N 1.34 4.76 -0.46 0.64 1.01 -1.26 0.14 121.20 127.36 2jqi s ILE 147 Ca 0.00 1.63 -0.26 0.00 0.00 0.00 0.00 60.65 62.02 2jqi s ILE 147 Cb -0.17 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.21 2jqi s ILE 147 CO -0.04 0.35 0.96 0.21 0.00 0.00 0.00 174.94 176.42 2jqi s ASN 148 N 0.04 6.52 0.55 3.58 2.47 -1.18 -4.90 114.94 122.02 2jqi s ASN 148 Ca 0.39 0.17 0.26 0.00 0.42 0.00 0.00 52.86 54.10 2jqi s ASN 148 Cb -0.20 -2.47 1.56 0.00 -1.45 0.00 0.00 41.25 38.69 2jqi s ASN 148 CO 0.23 -1.08 2.16 0.44 -3.72 0.00 0.00 177.10 175.12 2jqi h ASP 149 N 9.09 0.00 -0.41 -4.21 3.32 -1.93 -2.51 116.42 119.78 2jqi h ASP 149 Ca -0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2jqi h ASP 149 Cb 1.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 2jqi h ASP 149 CO 1.04 0.06 0.27 0.11 -1.72 0.00 0.00 179.24 179.00 2jqi h LYS 150 N 0.00 0.53 -0.60 3.56 6.56 -1.92 -0.34 116.57 124.37 2jqi h LYS 150 Ca -0.00 -0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.57 2jqi h LYS 150 Cb 0.15 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 31.66 2jqi h LYS 150 CO 0.01 0.35 0.38 0.35 -2.06 0.00 0.00 179.45 178.48 2jqi h PHE 151 N 0.55 0.72 -0.57 -1.35 3.57 -1.66 -2.25 116.94 115.95 2jqi h PHE 151 Ca 0.15 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 2jqi h PHE 151 Cb -0.06 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 2jqi h PHE 151 CO -0.05 0.44 0.05 0.87 -2.23 0.00 0.00 178.31 177.39 2jqi h LYS 152 N 0.77 0.96 -0.62 1.11 1.57 -1.48 -2.16 116.57 116.72 2jqi h LYS 152 Ca 0.23 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2jqi h LYS 152 Cb -0.04 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 2jqi h LYS 152 CO -0.07 0.91 0.40 0.37 -0.57 0.00 0.00 179.45 180.50 2jqi h GLN 153 N 0.89 0.79 -0.42 3.15 5.75 -0.56 0.20 115.11 124.91 2jqi h GLN 153 Ca 0.17 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.52 2jqi h GLN 153 Cb 0.46 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 2jqi h GLN 153 CO 0.02 0.52 -0.16 0.00 -2.65 0.00 0.00 178.83 176.56 2jqi h LEU 155 N 0.67 0.63 -0.80 0.00 7.12 -1.05 0.95 115.31 122.84 2jqi h LEU 155 Ca 0.10 -0.21 -0.07 0.00 0.13 0.00 0.00 57.88 57.83 2jqi h LEU 155 Cb 0.71 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.64 2jqi h LEU 155 CO 0.05 0.84 0.08 -0.08 -0.13 0.00 0.00 178.44 179.21 2jqi h GLU 156 N 0.55 0.99 0.10 1.25 4.57 -0.50 -3.18 114.58 118.36 2jqi h GLU 156 Ca 0.08 -0.26 -0.33 0.00 -1.18 0.00 0.00 59.36 57.67 2jqi h GLU 156 Cb 0.67 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 2jqi h GLU 156 CO 0.05 0.92 -1.80 0.37 -1.18 0.00 0.00 179.01 177.37 2jqi h GLN 157 N 0.93 0.21 0.00 1.92 4.15 -1.28 -3.50 115.11 117.54 2jqi h GLN 157 Ca 0.19 -0.37 0.03 0.00 0.77 0.00 0.00 58.65 59.27 2jqi h GLN 157 Cb 0.42 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 2jqi h GLN 157 CO 0.01 1.04 -0.04 0.27 -1.93 0.00 0.00 178.83 178.18 2jqi n ASN 158 N -3.39 -1.69 -4.39 -0.69 0.23 0.33 -4.86 115.26 100.80 2jqi n ASN 158 Ca -0.24 0.11 -0.26 0.00 -0.53 0.00 0.00 54.58 53.66 2jqi n ASN 158 Cb 1.05 -0.43 -0.12 0.00 -2.08 0.00 0.00 39.78 38.20 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 -0.38 1.42 0.09 -3.83 -2.85 -1.26 -5.02 119.74 107.90 2jqi s LYS 159 Ca 0.00 -1.45 -0.22 0.00 -1.00 0.00 0.00 55.97 53.30 2jqi s LYS 159 Cb 0.00 -1.73 -0.07 0.00 -2.06 0.00 0.00 37.83 33.97 2jqi s LYS 159 CO 0.00 0.38 0.67 0.54 0.10 0.00 0.00 175.35 177.04 2jqi s VAL 160 N -1.59 4.64 0.11 1.79 0.11 -1.26 -5.08 120.40 119.13 2jqi s VAL 160 Ca 0.18 1.44 0.09 0.00 -2.93 0.00 0.00 61.98 60.76 2jqi s VAL 160 Cb -0.08 -4.01 -0.04 0.00 -1.53 0.00 0.00 36.38 30.72 2jqi s VAL 160 CO 0.08 0.50 -0.24 -1.81 -3.33 0.00 0.00 175.10 170.30 2jqi s ASP 161 N -0.82 2.91 0.01 3.54 1.01 -1.26 -5.08 116.67 116.98 2jqi s ASP 161 Ca 0.33 -0.69 -0.13 0.00 0.71 0.00 0.00 52.55 52.76 2jqi s ASP 161 Cb -0.21 -0.19 -0.07 0.00 1.01 0.00 0.00 42.92 43.46 2jqi s ASP 161 CO 0.22 0.13 0.89 0.03 0.21 0.00 0.00 175.17 176.65 2jqi h ARG 162 N 4.10 -0.45 -5.44 8.23 3.08 -2.10 -3.42 114.38 118.39 2jqi h ARG 162 Ca -0.48 0.03 -0.60 0.00 0.07 0.00 0.00 59.98 59.01 2jqi h ARG 162 Cb 1.17 0.10 -0.11 0.00 0.08 0.00 0.00 29.97 31.21 2jqi h ARG 162 CO 0.40 -0.30 -0.29 0.96 -1.07 0.00 0.00 179.97 179.67 2jqi s ILE 163 N -3.49 5.27 0.00 2.04 -4.36 -1.26 -5.36 121.20 114.04 2jqi s ILE 163 Ca -0.07 0.59 0.00 0.00 -0.26 0.00 0.00 60.65 60.91 2jqi s ILE 163 Cb 0.01 -3.66 0.00 0.00 1.25 0.00 0.00 42.46 40.05 2jqi s ILE 163 CO 0.20 0.33 0.00 -1.14 0.24 0.00 0.00 174.94 174.58