#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 3.73 -0.07 0.00 -2.24 -1.26 -4.85 114.28 109.59 2jqi n THR 15 Ca 0.00 -5.57 -0.11 0.00 -2.27 0.00 0.00 64.05 56.10 2jqi n THR 15 Cb 0.00 -1.91 -0.05 0.00 -2.10 0.00 0.00 70.33 66.27 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 4.31 0.34 -0.95 -0.78 1.08 -2.06 -2.75 115.11 114.30 2jqi h GLN 16 Ca 0.22 -0.09 0.03 0.00 -1.45 0.00 0.00 58.65 57.37 2jqi h GLN 16 Cb 0.58 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.92 2jqi h GLN 16 CO 1.01 0.48 0.62 0.00 -0.95 0.00 0.00 178.83 179.99 2jqi h ARG 17 N 0.15 1.18 -0.94 1.46 3.08 -2.01 -1.76 114.38 115.54 2jqi h ARG 17 Ca 0.07 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.06 2jqi h ARG 17 Cb 0.29 -0.27 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 2jqi h ARG 17 CO 0.00 0.78 0.62 0.35 -1.07 0.00 0.00 179.97 180.65 2jqi h PHE 18 N 1.21 1.16 -0.16 3.04 3.57 -1.91 -1.14 116.94 122.72 2jqi h PHE 18 Ca 0.37 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.87 2jqi h PHE 18 Cb -0.02 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.32 2jqi h PHE 18 CO -0.00 0.71 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.66 2jqi h LEU 19 N 1.23 0.21 -0.42 0.59 3.38 -1.04 -2.26 115.31 117.01 2jqi h LEU 19 Ca 0.36 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 58.11 2jqi h LEU 19 Cb -0.08 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2jqi h LEU 19 CO -0.09 0.31 -0.70 0.40 0.09 0.00 0.00 178.44 178.45 2jqi h ILE 20 N 0.23 1.36 -0.76 1.22 2.04 -1.00 -3.09 117.51 117.51 2jqi h ILE 20 Ca 0.05 -2.06 0.05 0.00 1.00 0.00 0.00 64.86 63.90 2jqi h ILE 20 Cb 0.26 2.04 -0.05 0.00 -0.74 0.00 0.00 36.82 38.32 2jqi h ILE 20 CO 0.01 0.62 0.47 -0.08 0.00 0.00 0.00 178.15 179.17 2jqi h GLU 21 N 0.31 0.85 0.00 2.37 4.81 -0.79 0.32 114.58 122.46 2jqi h GLU 21 Ca -0.02 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2jqi h GLU 21 Cb 1.27 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 2jqi h GLU 21 CO 0.12 0.56 -0.13 0.87 -0.73 0.00 0.00 179.01 179.70 2jqi h LYS 22 N 0.87 0.00 -0.38 1.92 1.57 -1.50 -2.99 116.57 116.06 2jqi h LYS 22 Ca 0.33 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.15 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 0.14 0.35 -0.57 0.00 0.00 179.45 179.35 2jqi h PHE 23 N 0.00 0.25 -0.08 -1.35 3.04 -0.84 -1.92 116.94 116.03 2jqi h PHE 23 Ca -0.00 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.85 2jqi h PHE 23 Cb 0.46 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 2jqi h PHE 23 CO 0.00 0.10 -0.50 1.03 -2.02 0.00 0.00 178.31 176.93 2jqi h SER 24 N 0.30 0.22 0.00 0.41 0.87 -1.52 -3.46 113.55 110.37 2jqi h SER 24 Ca 0.17 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2jqi h SER 24 Cb 0.15 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2jqi h SER 24 CO -0.17 0.68 0.00 1.67 -0.53 0.00 0.00 176.83 178.48 2jqi n GLN 25 N -3.95 0.00 -3.94 2.24 -0.06 -0.72 -4.69 117.38 106.25 2jqi n GLN 25 Ca -0.02 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 54.67 2jqi n GLN 25 Cb 0.54 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.67 2jqi n GLN 25 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2jqi s GLU 26 N 0.00 3.35 0.20 3.69 0.41 -1.26 -4.99 118.70 120.09 2jqi s GLU 26 Ca 0.00 -0.45 -0.23 0.00 -0.41 0.00 0.00 54.97 53.88 2jqi s GLU 26 Cb 0.00 -3.00 -0.08 0.00 -1.78 0.00 0.00 34.13 29.27 2jqi s GLU 26 CO 0.00 0.62 0.76 -0.65 -0.49 0.00 0.00 175.26 175.50 2jqi s GLN 27 N -2.35 4.43 0.14 1.61 -1.52 -1.26 -5.04 119.66 115.67 2jqi s GLN 27 Ca 0.32 1.04 -0.29 0.00 -1.95 0.00 0.00 55.36 54.49 2jqi s GLN 27 Cb -0.13 -3.07 -0.07 0.00 -0.22 0.00 0.00 33.01 29.52 2jqi s GLN 27 CO 0.25 0.48 0.90 -1.50 -0.25 0.00 0.00 175.29 175.17 2jqi s ILE 28 N -1.33 4.41 0.00 1.08 2.07 -1.26 -4.69 121.20 121.48 2jqi s ILE 28 Ca 0.39 1.96 0.00 0.00 -1.41 0.00 0.00 60.65 61.59 2jqi s ILE 28 Cb -0.20 -4.27 0.00 0.00 0.13 0.00 0.00 42.46 38.12 2jqi s ILE 28 CO 0.24 0.40 0.00 0.61 -1.91 0.00 0.00 174.94 174.28 2jqi n GLY 29 N 1.99 0.17 0.28 1.50 0.00 -1.26 -5.05 105.19 102.82 2jqi n GLY 29 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2jqi n GLY 29 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2jqi h GLU 30 N 0.00 0.98 0.00 1.61 4.11 -2.02 -3.42 114.58 115.84 2jqi h GLU 30 Ca 0.00 -0.41 0.00 0.00 0.07 0.00 0.00 59.36 59.02 2jqi h GLU 30 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2jqi h GLU 30 CO 0.00 1.08 0.00 0.09 0.07 0.00 0.00 179.01 180.25 2jqi n ASN 31 N -4.11 0.00 -4.74 3.06 3.02 -1.26 -5.10 115.26 106.13 2jqi n ASN 31 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 2jqi n ASN 31 Cb 0.45 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.58 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 3.78 -0.15 2.41 -1.09 -1.26 -1.07 121.20 123.82 2jqi s ILE 32 Ca 0.00 1.57 -0.11 0.00 -2.23 0.00 0.00 60.65 59.89 2jqi s ILE 32 Cb 0.00 -4.00 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 2jqi s ILE 32 CO 0.00 0.29 -0.16 0.52 -1.23 0.00 0.00 174.94 174.36 2jqi n VAL 33 N 2.18 1.43 -3.99 2.92 0.31 0.40 -4.40 118.33 117.18 2jqi n VAL 33 Ca 0.02 0.19 -0.10 0.00 -0.01 0.00 0.00 64.34 64.44 2jqi n VAL 33 Cb 0.46 -2.36 -0.08 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 1.21 -0.21 0.00 3.00 0.36 0.47 118.95 119.79 2jqi s ARG 35 Ca 0.18 -0.48 -0.05 0.00 -1.00 0.00 0.00 55.73 54.39 2jqi s ARG 35 Cb 0.04 -1.13 -0.02 0.00 0.00 0.00 0.00 34.95 33.84 2jqi s ARG 35 CO 0.00 0.25 -0.00 0.08 0.00 0.00 0.00 175.30 175.63 2jqi s VAL 36 N -0.15 3.82 -0.12 7.11 1.01 -0.93 0.16 120.40 131.29 2jqi s VAL 36 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2jqi s VAL 36 Cb -0.07 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.59 2jqi s VAL 36 CO 0.00 0.41 -0.11 -0.63 0.00 0.00 0.00 175.10 174.78 2jqi s ILE 37 N 1.22 1.29 -0.59 2.22 1.01 0.26 -1.77 121.20 124.83 2jqi s ILE 37 Ca 0.03 -0.46 -0.28 0.00 0.00 0.00 0.00 60.65 59.94 2jqi s ILE 37 Cb -0.15 -1.24 0.03 0.00 0.01 0.00 0.00 42.46 41.11 2jqi s ILE 37 CO 0.01 0.41 1.20 0.00 0.00 0.00 0.00 174.94 176.56 2jqi h THR 39 N 6.15 0.72 0.00 0.00 1.03 -1.88 -2.73 112.91 116.19 2jqi h THR 39 Ca -0.25 -1.27 0.00 0.00 -0.01 0.00 0.00 66.41 64.88 2jqi h THR 39 Cb 1.06 1.81 0.00 0.00 -1.07 0.00 0.00 68.15 69.95 2jqi h THR 39 CO 1.20 0.28 0.00 0.35 -0.01 0.00 0.00 175.52 177.34 2jqi n THR 40 N -3.49 0.00 -2.87 0.00 -2.24 -1.25 -4.95 114.28 99.48 2jqi n THR 40 Ca -0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 2jqi n THR 40 Cb 0.45 -0.51 0.01 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.25 0.90 3.38 0.00 -1.03 -4.98 105.19 103.30 2jqi n GLY 41 Ca 0.20 0.90 0.00 0.00 0.00 0.00 0.00 46.02 47.12 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 -0.88 0.00 -4.64 1.61 6.02 -1.26 -5.11 117.38 113.11 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 0.46 -0.19 -0.12 0.00 1.02 0.00 0.00 30.24 31.42 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 3.45 0.28 5.09 1.01 -1.26 -4.83 121.20 123.49 2jqi s ILE 43 Ca 0.00 -0.70 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 2jqi s ILE 43 Cb 0.00 -2.43 -0.10 0.00 0.01 0.00 0.00 42.46 39.95 2jqi s ILE 43 CO 0.00 0.51 1.22 -2.16 0.00 0.00 0.00 174.94 174.51 2jqi s PRO 44 N -1.04 4.48 0.51 2.79 0.04 -1.26 -4.26 135.00 136.26 2jqi s PRO 44 Ca 0.14 2.00 -0.21 0.00 0.04 0.00 0.00 61.00 62.97 2jqi s PRO 44 Cb -0.11 -3.15 -0.08 0.00 0.04 0.00 0.00 34.50 31.20 2jqi s PRO 44 CO 0.03 -0.03 0.97 -0.89 0.04 0.00 0.00 177.00 177.13 2jqi n ILE 45 N 1.38 2.97 -4.26 0.56 5.41 -1.26 -4.88 119.36 119.28 2jqi n ILE 45 Ca 0.01 -0.50 -0.14 0.00 1.00 0.00 0.00 62.75 63.11 2jqi n ILE 45 Cb 0.43 -1.15 -0.10 0.00 -0.71 0.00 0.00 39.64 38.11 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 -2.36 1.16 -0.13 0.38 6.06 -0.73 -5.02 118.95 118.31 2jqi s ARG 46 Ca 0.69 -1.56 -0.00 0.00 -2.50 0.00 0.00 55.73 52.36 2jqi s ARG 46 Cb -0.48 -0.39 0.03 0.00 0.06 0.00 0.00 34.95 34.16 2jqi s ARG 46 CO 0.53 -0.10 -0.10 -0.51 -2.50 0.00 0.00 175.30 172.62 2jqi s ASP 47 N -3.21 2.42 -0.08 -2.12 1.11 -1.26 -2.20 116.67 111.34 2jqi s ASP 47 Ca 0.24 -0.40 -0.18 0.00 0.18 0.00 0.00 52.55 52.39 2jqi s ASP 47 Cb 0.06 -0.97 -0.05 0.00 1.07 0.00 0.00 42.92 43.02 2jqi s ASP 47 CO 0.05 -0.10 0.49 -0.76 1.18 0.00 0.00 175.17 176.03 2jqi s LEU 48 N 1.62 4.34 0.04 1.23 1.02 0.18 -4.99 118.68 122.11 2jqi s LEU 48 Ca 0.05 0.92 -0.02 0.00 0.02 0.00 0.00 54.13 55.09 2jqi s LEU 48 Cb -0.13 -2.73 -0.03 0.00 0.02 0.00 0.00 46.19 43.32 2jqi s LEU 48 CO -0.09 0.07 0.00 -0.94 0.02 0.00 0.00 176.35 175.41 2jqi s SER 49 N 0.20 0.34 -0.06 2.29 1.04 -1.26 0.15 113.70 116.40 2jqi s SER 49 Ca 0.27 -0.74 -0.07 0.00 0.48 0.00 0.00 55.95 55.89 2jqi s SER 49 Cb -0.16 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.15 2jqi s SER 49 CO 0.12 -0.49 0.18 0.00 0.98 0.00 0.00 173.24 174.03 2jqi s ALA 50 N -2.88 -0.45 0.31 5.32 0.00 -0.23 -4.77 121.76 119.07 2jqi s ALA 50 Ca -0.03 0.41 -0.27 0.00 0.00 0.00 0.00 51.96 52.08 2jqi s ALA 50 Cb 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 23.12 22.80 2jqi s ALA 50 CO -0.06 -0.11 0.96 -0.51 0.00 0.00 0.00 175.76 176.03 2jqi s ASP 51 N -0.19 7.34 0.14 0.00 1.01 -1.26 -4.69 116.67 119.03 2jqi s ASP 51 Ca -0.03 1.88 -0.14 0.00 0.71 0.00 0.00 52.55 54.97 2jqi s ASP 51 Cb -0.02 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.33 2jqi s ASP 51 CO 0.01 -0.06 1.66 0.40 0.21 0.00 0.00 175.17 177.38 2jqi h ILE 52 N 2.68 1.22 -0.84 0.77 2.04 -1.99 -2.75 117.51 118.64 2jqi h ILE 52 Ca -0.47 -0.75 0.10 0.00 1.00 0.00 0.00 64.86 64.75 2jqi h ILE 52 Cb 1.19 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.07 2jqi h ILE 52 CO 0.65 0.27 0.55 0.28 0.00 0.00 0.00 178.15 179.90 2jqi h SER 53 N 0.60 0.71 -0.19 1.72 0.02 -1.98 0.27 113.55 114.70 2jqi h SER 53 Ca 0.15 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 2jqi h SER 53 Cb 0.27 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2jqi h SER 53 CO -0.00 0.42 -0.29 1.56 -1.14 0.00 0.00 176.83 177.37 2jqi h GLN 54 N 0.79 0.68 -0.17 3.45 4.20 -1.91 -1.50 115.11 120.65 2jqi h GLN 54 Ca 0.39 -0.30 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 2jqi h GLN 54 Cb 0.45 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 2jqi h GLN 54 CO -0.16 0.90 -0.26 0.28 -0.67 0.00 0.00 178.83 178.91 2jqi h VAL 55 N 0.59 1.35 0.00 -0.54 2.07 -0.68 -2.65 116.25 116.38 2jqi h VAL 55 Ca 0.07 -1.48 -0.05 0.00 0.82 0.00 0.00 66.70 66.06 2jqi h VAL 55 Cb 0.79 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2jqi h VAL 55 CO 0.07 0.45 -0.26 0.25 0.02 0.00 0.00 177.57 178.09 2jqi h LEU 56 N 0.13 0.00 0.14 2.57 5.85 -0.51 -3.13 115.31 120.36 2jqi h LEU 56 Ca 0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2jqi h LEU 56 Cb 0.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.87 2jqi h LEU 56 CO 0.06 0.26 -0.07 0.50 -0.34 0.00 0.00 178.44 178.85 2jqi h LYS 57 N 0.00 -0.18 -6.61 1.25 3.64 -1.19 -3.44 116.57 110.04 2jqi h LYS 57 Ca -0.00 0.01 -0.53 0.00 -1.27 0.00 0.00 60.65 58.86 2jqi h LYS 57 Cb 0.55 0.04 0.03 0.00 -0.41 0.00 0.00 32.23 32.44 2jqi h LYS 57 CO 0.03 0.25 0.74 -1.21 -2.27 0.00 0.00 179.45 177.00 2jqi s GLU 58 N -3.91 4.31 -1.12 1.90 8.01 -1.01 -4.95 118.70 121.93 2jqi s GLU 58 Ca -0.14 2.15 -0.07 0.00 0.01 0.00 0.00 54.97 56.92 2jqi s GLU 58 Cb 0.01 -3.20 0.28 0.00 -4.31 0.00 0.00 34.13 26.91 2jqi s GLU 58 CO 0.56 -0.42 1.40 1.63 0.01 0.00 0.00 175.26 178.44 2jqi n LYS 59 N 3.46 4.04 -2.60 1.61 4.76 -1.26 -4.84 118.16 123.33 2jqi n LYS 59 Ca 0.10 -4.38 -0.05 0.00 -2.87 0.00 0.00 58.31 51.10 2jqi n LYS 59 Cb 0.41 -2.60 -0.04 0.00 -1.84 0.00 0.00 35.03 30.97 2jqi n LYS 59 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jqi n ARG 60 N 2.25 -4.61 0.01 1.97 1.74 -1.26 -4.99 116.66 111.77 2jqi n ARG 60 Ca 0.27 3.46 0.00 0.00 -0.77 0.00 0.00 57.85 60.81 2jqi n ARG 60 Cb 0.36 -4.95 0.00 0.00 -1.02 0.00 0.00 32.46 26.85 2jqi n ARG 60 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2jqi n SER 61 N 1.77 -0.20 -3.65 0.55 7.64 -1.26 -4.89 113.62 113.57 2jqi n SER 61 Ca -0.39 0.37 0.02 0.00 1.01 0.00 0.00 58.87 59.88 2jqi n SER 61 Cb 0.61 0.52 -0.06 0.00 -1.01 0.00 0.00 64.21 64.26 2jqi n SER 61 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2jqi s ILE 62 N -1.69 0.00 -0.11 0.44 1.10 -1.26 -4.70 121.20 114.98 2jqi s ILE 62 Ca 0.00 0.00 -0.12 0.00 -0.51 0.00 0.00 60.65 60.02 2jqi s ILE 62 Cb 0.00 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.57 2jqi s ILE 62 CO 0.00 0.00 -0.24 0.29 -2.11 0.00 0.00 174.94 172.88 2jqi n LYS 63 N 3.04 0.36 -3.69 3.50 4.01 -0.52 -4.94 118.16 119.92 2jqi n LYS 63 Ca -0.17 0.14 -0.14 0.00 -0.51 0.00 0.00 58.31 57.64 2jqi n LYS 63 Cb 0.56 -1.11 -0.09 0.00 -0.51 0.00 0.00 35.03 33.88 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 -2.40 0.64 -0.05 1.97 2.20 -1.17 -5.01 119.74 115.92 2jqi s LYS 64 Ca -0.20 0.76 0.04 0.00 -0.36 0.00 0.00 55.97 56.21 2jqi s LYS 64 Cb 0.03 0.31 -0.00 0.00 -1.51 0.00 0.00 37.83 36.66 2jqi s LYS 64 CO 0.29 -0.08 -0.17 0.08 -0.36 0.00 0.00 175.35 175.12 2jqi s VAL 65 N 0.28 1.40 -0.11 4.02 1.01 -1.26 -1.69 120.40 124.05 2jqi s VAL 65 Ca -0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 2jqi s VAL 65 Cb -0.04 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2jqi s VAL 65 CO 0.01 0.40 0.10 0.26 0.00 0.00 0.00 175.10 175.87 2jqi s TRP 66 N 0.11 3.47 -0.14 5.22 0.51 0.49 -4.89 118.94 123.71 2jqi s TRP 66 Ca -0.05 0.43 -0.02 0.00 -2.12 0.00 0.00 56.10 54.34 2jqi s TRP 66 Cb -0.12 -1.89 -0.02 0.00 -0.81 0.00 0.00 33.47 30.62 2jqi s TRP 66 CO 0.02 0.66 -0.07 0.99 -0.51 0.00 0.00 176.95 178.05 2jqi s THR 67 N -0.99 3.63 0.06 2.01 2.01 -1.26 0.72 115.64 121.81 2jqi s THR 67 Ca 0.15 -0.46 0.10 0.00 0.31 0.00 0.00 61.69 61.78 2jqi s THR 67 Cb -0.12 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 2jqi s THR 67 CO 0.04 0.51 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.85 2jqi s PHE 68 N 0.29 2.29 -4.48 4.92 0.40 0.57 0.15 117.98 122.11 2jqi s PHE 68 Ca -0.05 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 2jqi s PHE 68 Cb -0.15 -1.34 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 1.61 -1.18 0.21 4.36 0.00 -0.46 0.15 105.19 109.87 2jqi n GLY 69 Ca -0.17 -1.16 0.11 0.00 0.00 0.00 0.00 46.02 44.80 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 1.28 -2.98 1.61 1.74 0.30 -1.79 116.66 116.82 2jqi n ARG 70 Ca 0.00 -0.42 -0.40 0.00 -0.77 0.00 0.00 57.85 56.26 2jqi n ARG 70 Cb 0.00 -1.36 -0.05 0.00 -1.02 0.00 0.00 32.46 30.03 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 -1.66 7.17 0.17 0.55 3.04 0.10 -4.85 114.94 119.47 2jqi s ASN 71 Ca 0.33 1.40 0.17 0.00 0.04 0.00 0.00 52.86 54.80 2jqi s ASN 71 Cb 0.16 -2.46 0.80 0.00 -1.54 0.00 0.00 41.25 38.20 2jqi s ASN 71 CO 0.26 -0.04 1.54 -2.65 -3.04 0.00 0.00 177.10 173.17 2jqi n PRO 72 N 3.12 0.11 0.03 0.43 -0.02 -1.26 -1.88 135.00 135.53 2jqi n PRO 72 Ca -0.02 0.45 -0.21 0.00 -2.02 0.00 0.00 63.50 61.70 2jqi n PRO 72 Cb 0.51 -1.75 -0.14 0.00 -0.02 0.00 0.00 33.50 32.09 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 2.22 0.03 -1.35 3.55 0.00 -1.94 -3.47 119.26 118.30 2jqi h ALA 73 Ca 0.00 -0.88 -0.66 0.00 0.00 0.00 0.00 54.91 53.37 2jqi h ALA 73 Cb 0.20 0.28 0.10 0.00 0.00 0.00 0.00 17.79 18.37 2jqi h ALA 73 CO 0.00 0.59 -0.23 0.00 0.00 0.00 0.00 179.25 179.61 2jqi h ASP 75 N 1.62 0.00 -3.28 0.00 5.19 0.11 -3.38 116.42 116.67 2jqi h ASP 75 Ca -0.34 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.56 2jqi h ASP 75 Cb 1.40 0.00 -0.36 0.00 0.18 0.00 0.00 39.33 40.56 2jqi h ASP 75 CO 0.60 0.00 -0.80 -0.47 -3.12 0.00 0.00 179.24 175.44 2jqi s TYR 76 N -3.97 1.40 -0.41 4.55 5.04 -0.47 -4.96 117.35 118.53 2jqi s TYR 76 Ca -0.04 -0.62 -0.12 0.00 -2.44 0.00 0.00 57.07 53.86 2jqi s TYR 76 Cb 0.09 -1.13 0.05 0.00 0.35 0.00 0.00 41.96 41.33 2jqi s TYR 76 CO 0.30 -0.41 0.27 -1.58 -1.34 0.00 0.00 175.55 172.79 2jqi s HIS 77 N 1.31 3.26 -0.90 4.97 2.46 -1.25 -1.36 115.29 123.78 2jqi s HIS 77 Ca -0.03 -1.03 -0.01 0.00 0.47 0.00 0.00 55.06 54.46 2jqi s HIS 77 Cb -0.14 -2.72 0.23 0.00 -0.13 0.00 0.00 32.58 29.82 2jqi s HIS 77 CO -0.04 -0.72 0.83 1.47 -2.47 0.00 0.00 174.74 173.82 2jqi n LEU 78 N 5.05 4.34 0.00 8.88 -0.00 -0.74 -4.75 117.00 129.78 2jqi n LEU 78 Ca -0.11 -5.16 0.00 0.00 -0.00 0.00 0.00 56.01 50.74 2jqi n LEU 78 Cb 0.45 -1.09 0.00 0.00 -0.00 0.00 0.00 43.42 42.78 2jqi n LEU 78 CO 0.40 1.60 0.00 0.61 -0.00 0.00 0.00 177.39 180.00 2jqi n GLY 79 N 2.16 2.49 2.84 1.47 0.00 -1.26 -4.41 105.19 108.47 2jqi n GLY 79 Ca 0.23 0.35 0.03 0.00 0.00 0.00 0.00 46.02 46.63 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 -4.00 -0.26 -0.15 1.61 4.22 -1.26 -4.74 114.94 110.36 2jqi s ASN 80 Ca 0.00 -0.09 -0.03 0.00 -2.14 0.00 0.00 52.86 50.60 2jqi s ASN 80 Cb 0.00 0.52 -0.03 0.00 1.28 0.00 0.00 41.25 43.02 2jqi s ASN 80 CO 0.00 -0.03 -0.05 -0.63 -2.04 0.00 0.00 177.10 174.35 2jqi s ILE 81 N 2.21 3.80 0.32 0.54 -1.09 -1.26 -5.00 121.20 120.71 2jqi s ILE 81 Ca 0.18 -0.39 0.05 0.00 -2.23 0.00 0.00 60.65 58.26 2jqi s ILE 81 Cb 0.03 -2.66 0.30 0.00 -1.58 0.00 0.00 42.46 38.55 2jqi s ILE 81 CO -0.17 0.50 1.87 -1.28 -1.23 0.00 0.00 174.94 174.62 2jqi h SER 82 N 6.71 0.78 0.21 3.58 0.87 -2.00 0.14 113.55 123.83 2jqi h SER 82 Ca -0.31 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.26 2jqi h SER 82 Cb 1.19 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2jqi h SER 82 CO 0.62 0.42 -0.14 -0.09 -0.53 0.00 0.00 176.83 177.11 2jqi h ARG 83 N 0.84 0.00 -6.11 2.24 9.65 -1.93 -3.42 114.38 115.64 2jqi h ARG 83 Ca 0.45 0.00 -0.57 0.00 -1.10 0.00 0.00 59.98 58.76 2jqi h ARG 83 Cb 0.56 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.11 2jqi h ARG 83 CO -0.22 0.14 -0.38 -0.51 2.80 0.00 0.00 179.97 181.80 2jqi s LEU 84 N -8.18 4.28 0.33 3.80 1.43 0.48 -4.45 118.68 116.38 2jqi s LEU 84 Ca -0.04 0.40 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 2jqi s LEU 84 Cb 0.15 -3.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.21 2jqi s LEU 84 CO 0.65 0.05 0.49 -0.44 0.23 0.00 0.00 176.35 177.32 2jqi s SER 85 N -2.79 6.09 0.23 2.29 0.01 -1.26 -4.66 113.70 113.60 2jqi s SER 85 Ca 0.38 0.06 -0.15 0.00 1.31 0.00 0.00 55.95 57.55 2jqi s SER 85 Cb -0.12 -1.57 0.29 0.00 0.21 0.00 0.00 66.02 64.82 2jqi s SER 85 CO 0.27 -0.36 1.57 0.78 0.41 0.00 0.00 173.24 175.91 2jqi h ASN 86 N 0.86 -1.11 -3.59 2.44 2.35 -1.92 -2.41 115.58 112.19 2jqi h ASN 86 Ca -0.48 0.28 -0.65 0.00 -0.55 0.00 0.00 56.30 54.90 2jqi h ASN 86 Cb 1.24 0.63 -0.40 0.00 0.05 0.00 0.00 38.32 39.84 2jqi h ASN 86 CO 0.57 -0.29 -0.50 -0.54 -1.65 0.00 0.00 177.43 175.02 2jqi s LYS 87 N -6.09 2.47 0.11 0.81 1.02 -1.26 0.11 119.74 116.90 2jqi s LYS 87 Ca -0.14 -3.07 -0.17 0.00 0.02 0.00 0.00 55.97 52.61 2jqi s LYS 87 Cb 0.21 -3.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 2jqi s LYS 87 CO 0.73 -1.22 1.60 1.25 -0.92 0.00 0.00 175.35 176.78 2jqi h HIS 88 N 5.94 0.56 -3.64 3.18 2.76 0.18 -3.36 115.15 120.78 2jqi h HIS 88 Ca 0.07 -0.07 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 2jqi h HIS 88 Cb 0.82 -0.16 -0.13 0.00 1.55 0.00 0.00 27.41 29.50 2jqi h HIS 88 CO 0.65 0.59 -0.21 -0.59 -1.30 0.00 0.00 177.93 177.07 2jqi s PHE 89 N -5.24 0.07 0.08 5.26 -0.71 -0.26 0.16 117.98 117.34 2jqi s PHE 89 Ca -0.13 -0.44 0.02 0.00 -1.04 0.00 0.00 56.93 55.33 2jqi s PHE 89 Cb 0.09 0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.96 2jqi s PHE 89 CO 0.75 -0.69 -0.07 -0.65 -1.34 0.00 0.00 175.22 173.22 2jqi s GLN 90 N -3.87 0.72 -0.06 1.99 -0.21 0.54 0.21 119.66 118.97 2jqi s GLN 90 Ca 0.08 -1.10 0.03 0.00 0.02 0.00 0.00 55.36 54.40 2jqi s GLN 90 Cb 0.03 -0.27 0.00 0.00 1.00 0.00 0.00 33.01 33.77 2jqi s GLN 90 CO -0.07 0.02 -0.16 0.42 -2.12 0.00 0.00 175.29 173.37 2jqi s ILE 91 N -2.65 1.40 0.03 1.08 1.01 0.22 0.17 121.20 122.46 2jqi s ILE 91 Ca 0.03 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.07 2jqi s ILE 91 Cb -0.01 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 2jqi s ILE 91 CO -0.02 0.41 -0.16 -1.48 0.00 0.00 0.00 174.94 173.69 2jqi s LEU 92 N 0.34 2.15 -0.07 2.97 0.05 0.14 0.18 118.68 124.44 2jqi s LEU 92 Ca -0.11 -0.44 0.03 0.00 0.05 0.00 0.00 54.13 53.67 2jqi s LEU 92 Cb -0.14 -0.71 0.01 0.00 -2.05 0.00 0.00 46.19 43.30 2jqi s LEU 92 CO 0.04 0.08 -0.17 -0.22 -0.55 0.00 0.00 176.35 175.53 2jqi s LEU 93 N -1.03 1.85 0.00 1.48 2.96 -0.68 0.40 118.68 123.66 2jqi s LEU 93 Ca 0.03 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 2jqi s LEU 93 Cb -0.08 -1.06 0.00 0.00 0.50 0.00 0.00 46.19 45.55 2jqi s LEU 93 CO 0.01 0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.75 2jqi n GLY 94 N 3.57 2.39 7.00 7.98 0.00 -1.26 -1.44 105.19 123.43 2jqi n GLY 94 Ca -0.21 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.52 1.61 1.02 -1.26 -3.42 120.64 117.06 2jqi n GLU 95 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 2jqi n GLU 95 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 2jqi n GLU 95 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2jqi n ASP 96 N -3.09 7.48 0.00 1.62 -0.08 -1.26 -4.74 116.55 116.49 2jqi n ASP 96 Ca 0.00 -2.87 0.00 0.00 -1.51 0.00 0.00 54.79 50.41 2jqi n ASP 96 Cb 0.00 -1.41 0.00 0.00 2.34 0.00 0.00 41.12 42.05 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 2.24 -0.95 1.31 0.27 0.00 -1.22 -5.03 105.19 101.81 2jqi n GLY 97 Ca 0.61 -2.15 0.17 0.00 0.00 0.00 0.00 46.02 44.65 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 -7.87 -4.34 1.61 3.02 -1.26 -4.61 115.26 101.81 2jqi n ASN 98 Ca 0.00 0.88 -0.18 0.00 -0.03 0.00 0.00 54.58 55.25 2jqi n ASN 98 Cb 0.00 -4.20 -0.10 0.00 -0.61 0.00 0.00 39.78 34.87 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 -6.98 2.55 0.01 3.41 0.20 -1.26 -4.30 118.68 112.30 2jqi s LEU 99 Ca 0.00 -1.02 0.04 0.00 0.69 0.00 0.00 54.13 53.84 2jqi s LEU 99 Cb 0.00 -0.64 -0.01 0.00 -0.43 0.00 0.00 46.19 45.10 2jqi s LEU 99 CO 0.00 -0.19 -0.12 -0.76 -0.29 0.00 0.00 176.35 174.99 2jqi s LEU 100 N -3.30 2.08 -0.15 -0.68 1.43 0.16 -1.13 118.68 117.09 2jqi s LEU 100 Ca 0.22 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2jqi s LEU 100 Cb -0.00 -0.55 -0.00 0.00 0.03 0.00 0.00 46.19 45.66 2jqi s LEU 100 CO 0.06 0.08 -0.15 -1.48 0.23 0.00 0.00 176.35 175.10 2jqi s LEU 101 N -0.62 2.53 -0.23 1.79 2.34 -0.69 0.26 118.68 124.06 2jqi s LEU 101 Ca 0.03 -0.44 -0.00 0.00 0.06 0.00 0.00 54.13 53.77 2jqi s LEU 101 Cb -0.06 -1.58 0.03 0.00 -0.56 0.00 0.00 46.19 44.02 2jqi s LEU 101 CO 0.00 0.10 -0.10 0.21 -1.06 0.00 0.00 176.35 175.50 2jqi s ASN 102 N 0.74 4.08 0.32 1.48 2.47 0.45 -2.57 114.94 121.90 2jqi s ASN 102 Ca -0.06 -0.88 -0.27 0.00 0.42 0.00 0.00 52.86 52.07 2jqi s ASN 102 Cb -0.15 -1.61 -0.09 0.00 -1.45 0.00 0.00 41.25 37.94 2jqi s ASN 102 CO 0.01 -0.10 1.01 1.51 -3.72 0.00 0.00 177.10 175.80 2jqi s ASP 103 N 1.29 7.21 -0.20 -4.21 1.47 -1.25 0.20 116.67 121.18 2jqi s ASP 103 Ca 0.00 2.01 0.17 0.00 1.18 0.00 0.00 52.55 55.90 2jqi s ASP 103 Cb -0.16 -2.60 0.38 0.00 -0.34 0.00 0.00 42.92 40.20 2jqi s ASP 103 CO -0.06 -0.17 1.24 2.30 0.68 0.00 0.00 175.17 179.16 2jqi n ILE 104 N 0.66 0.44 -3.78 2.11 -5.35 -0.56 0.20 119.36 113.07 2jqi n ILE 104 Ca 0.02 -1.50 -0.29 0.00 -0.27 0.00 0.00 62.75 60.70 2jqi n ILE 104 Cb 0.48 1.03 -0.04 0.00 -1.74 0.00 0.00 39.64 39.37 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 -2.19 6.40 0.32 7.28 0.01 0.44 -4.24 113.70 121.72 2jqi s SER 105 Ca 0.18 0.39 0.09 0.00 1.31 0.00 0.00 55.95 57.92 2jqi s SER 105 Cb 0.32 -2.01 0.53 0.00 0.21 0.00 0.00 66.02 65.07 2jqi s SER 105 CO -0.08 0.06 1.73 0.74 0.41 0.00 0.00 173.24 176.09 2jqi h THR 106 N 1.85 1.31 0.00 1.44 2.02 -1.87 -3.14 112.91 114.52 2jqi h THR 106 Ca -0.47 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.22 2jqi h THR 106 Cb 1.17 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 -1.74 0.59 0.37 0.00 0.00 175.52 175.89 2jqi n ASN 107 N -4.03 0.22 0.00 4.18 3.02 -1.26 -5.09 115.26 112.30 2jqi n ASN 107 Ca -0.02 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 2jqi n ASN 107 Cb 0.47 1.61 0.00 0.00 -0.61 0.00 0.00 39.78 41.25 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 3.16 3.36 7.41 0.00 -1.19 -4.87 105.19 114.31 2jqi n GLY 108 Ca -0.03 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.64 2.50 0.09 2.61 2.01 -1.26 -4.34 115.64 114.60 2jqi s THR 109 Ca 0.00 -0.92 0.07 0.00 0.31 0.00 0.00 61.69 61.15 2jqi s THR 109 Cb 0.00 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 2jqi s THR 109 CO 0.00 0.58 -0.14 0.26 -0.69 0.00 0.00 174.62 174.63 2jqi s TRP 110 N -0.44 2.65 -0.21 4.92 0.51 0.39 -2.48 118.94 124.27 2jqi s TRP 110 Ca 0.05 -0.20 0.01 0.00 -2.12 0.00 0.00 56.10 53.84 2jqi s TRP 110 Cb -0.12 -1.43 0.05 0.00 -0.81 0.00 0.00 33.47 31.16 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 -1.95 2.42 -1.68 2.99 2.96 0.87 0.12 118.68 124.42 2jqi s LEU 111 Ca 0.18 -0.98 -0.14 0.00 -0.22 0.00 0.00 54.13 52.98 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 0.56 0.59 -1.32 0.00 0.00 176.35 176.12 2jqi n ASN 112 N 4.66 -1.80 0.00 3.68 3.02 -1.01 0.81 115.26 124.62 2jqi n ASN 112 Ca -0.14 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 2jqi n ASN 112 Cb 0.46 -2.35 0.00 0.00 -0.61 0.00 0.00 39.78 37.28 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 -1.60 2.14 3.46 7.41 0.00 -1.26 -5.01 105.19 110.34 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 -0.41 3.58 0.03 1.61 -0.21 0.24 -5.06 119.66 119.45 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 -3.45 -0.06 0.00 1.00 0.00 0.00 33.01 30.50 2jqi s GLN 114 CO 0.00 -0.27 1.33 0.21 -2.12 0.00 0.00 175.29 174.45 2jqi s LYS 115 N 1.63 4.33 0.36 2.91 2.20 -1.26 -0.09 119.74 129.82 2jqi s LYS 115 Ca 0.06 1.92 0.04 0.00 -0.36 0.00 0.00 55.97 57.62 2jqi s LYS 115 Cb -0.16 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 2jqi s LYS 115 CO 0.06 -0.46 0.53 0.14 -0.36 0.00 0.00 175.35 175.25 2jqi s VAL 116 N 1.82 4.22 0.04 4.02 -7.23 -1.04 -4.93 120.40 117.30 2jqi s VAL 116 Ca 0.62 -0.80 -0.31 0.00 -1.81 0.00 0.00 61.98 59.68 2jqi s VAL 116 Cb -0.31 -3.50 -0.06 0.00 0.56 0.00 0.00 36.38 33.06 2jqi s VAL 116 CO 0.27 -0.25 1.41 -0.70 -0.31 0.00 0.00 175.10 175.52 2jqi s GLU 117 N -4.29 4.29 0.97 4.82 2.12 -1.26 -4.63 118.70 120.72 2jqi s GLU 117 Ca 0.45 2.02 -0.13 0.00 0.36 0.00 0.00 54.97 57.66 2jqi s GLU 117 Cb -0.10 -3.48 0.06 0.00 0.26 0.00 0.00 34.13 30.88 2jqi s GLU 117 CO 0.33 -0.54 0.44 1.17 -0.54 0.00 0.00 175.26 176.13 2jqi n LYS 118 N 4.93 -0.53 -2.71 4.30 4.81 -1.26 -2.26 118.16 125.44 2jqi n LYS 118 Ca 0.13 -0.11 -0.12 0.00 -0.87 0.00 0.00 58.31 57.33 2jqi n LYS 118 Cb 0.43 -1.89 -0.02 0.00 0.02 0.00 0.00 35.03 33.56 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 -1.74 -1.01 -4.56 3.14 0.23 0.52 -4.86 115.26 106.99 2jqi n ASN 119 Ca 0.06 -0.12 -0.31 0.00 -0.53 0.00 0.00 54.58 53.68 2jqi n ASN 119 Cb 0.54 -0.94 -0.11 0.00 -2.08 0.00 0.00 39.78 37.20 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 -1.98 4.39 -0.10 0.53 0.15 -0.96 -4.91 113.70 110.82 2jqi s SER 120 Ca 0.24 -0.24 -0.20 0.00 0.70 0.00 0.00 55.95 56.46 2jqi s SER 120 Cb -0.14 -0.93 -0.04 0.00 -1.71 0.00 0.00 66.02 63.19 2jqi s SER 120 CO 0.30 0.26 0.53 0.20 1.20 0.00 0.00 173.24 175.74 2jqi s ASN 121 N -1.52 6.76 0.07 5.45 -0.87 -1.26 -3.89 114.94 119.68 2jqi s ASN 121 Ca 0.17 0.91 0.06 0.00 -1.57 0.00 0.00 52.86 52.43 2jqi s ASN 121 Cb -0.11 -2.32 -0.03 0.00 -0.02 0.00 0.00 41.25 38.77 2jqi s ASN 121 CO 0.08 -0.03 -0.16 -1.10 -2.57 0.00 0.00 177.10 173.32 2jqi s GLN 122 N 0.66 0.93 -0.22 -0.60 -1.52 -1.06 -4.93 119.66 112.91 2jqi s GLN 122 Ca 0.29 -0.95 -0.29 0.00 -1.95 0.00 0.00 55.36 52.45 2jqi s GLN 122 Cb -0.16 -1.00 -0.02 0.00 -0.22 0.00 0.00 33.01 31.61 2jqi s GLN 122 CO 0.12 0.23 1.45 -1.17 -0.25 0.00 0.00 175.29 175.67 2jqi s LEU 123 N -1.61 3.98 0.86 2.90 2.96 -1.26 -1.70 118.68 124.81 2jqi s LEU 123 Ca 0.01 1.55 -0.14 0.00 -0.22 0.00 0.00 54.13 55.33 2jqi s LEU 123 Cb -0.09 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.09 2jqi s LEU 123 CO 0.02 -1.08 0.59 -0.11 -1.32 0.00 0.00 176.35 174.45 2jqi n LEU 124 N 7.72 0.92 -4.33 -0.68 7.94 -0.29 -4.93 117.00 123.35 2jqi n LEU 124 Ca 0.16 0.45 -0.23 0.00 -1.11 0.00 0.00 56.01 55.28 2jqi n LEU 124 Cb 0.45 -1.26 -0.12 0.00 0.53 0.00 0.00 43.42 43.02 2jqi n LEU 124 CO 0.62 -3.14 -0.50 -0.55 -1.11 0.00 0.00 177.39 172.71 2jqi s SER 125 N -1.90 2.75 -0.04 1.96 0.15 -1.26 -4.87 113.70 110.49 2jqi s SER 125 Ca 0.62 -0.80 -0.30 0.00 0.70 0.00 0.00 55.95 56.17 2jqi s SER 125 Cb -0.26 -0.17 -0.05 0.00 -1.71 0.00 0.00 66.02 63.84 2jqi s SER 125 CO 0.62 0.02 1.39 -1.58 1.20 0.00 0.00 173.24 174.89 2jqi s GLN 126 N -2.48 4.27 -2.08 5.44 2.00 -1.26 -2.52 119.66 123.03 2jqi s GLN 126 Ca 0.13 1.91 0.00 0.00 -2.00 0.00 0.00 55.36 55.41 2jqi s GLN 126 Cb -0.07 -3.67 0.00 0.00 0.80 0.00 0.00 33.01 30.07 2jqi s GLN 126 CO 0.06 -0.62 0.00 0.41 -0.50 0.00 0.00 175.29 174.64 2jqi n GLY 127 N 3.68 1.49 3.23 2.59 0.00 -0.81 -4.94 105.19 110.43 2jqi n GLY 127 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.43 -3.02 -3.78 1.61 2.03 -1.00 -4.46 116.55 106.50 2jqi n ASP 128 Ca -0.21 -0.46 -0.13 0.00 0.52 0.00 0.00 54.79 54.52 2jqi n ASP 128 Cb 0.67 -0.99 -0.13 0.00 -0.72 0.00 0.00 41.12 39.95 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 -4.19 0.18 -0.16 -0.67 2.02 -1.26 0.78 118.70 115.41 2jqi s GLU 129 Ca 0.58 0.34 -0.01 0.00 0.02 0.00 0.00 54.97 55.90 2jqi s GLU 129 Cb -0.14 -0.01 -0.01 0.00 0.10 0.00 0.00 34.13 34.08 2jqi s GLU 129 CO 0.55 -0.09 -0.12 0.42 0.02 0.00 0.00 175.26 176.04 2jqi s ILE 130 N 0.59 2.97 -0.10 -1.63 1.01 0.16 -2.41 121.20 121.80 2jqi s ILE 130 Ca -0.04 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 2jqi s ILE 130 Cb -0.06 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 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 0.76 4.73 0.05 2.92 2.01 0.33 0.52 115.64 126.97 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 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 2jqi s THR 131 CO 0.01 0.61 -0.02 0.68 -0.69 0.00 0.00 174.62 175.21 2jqi s VAL 132 N -0.94 0.20 0.00 3.82 -7.23 0.27 0.15 120.40 116.67 2jqi s VAL 132 Ca 0.14 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 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 0.03 -0.90 0.00 0.61 -0.31 0.00 0.00 175.10 174.53 2jqi n GLY 133 N 0.35 0.86 3.76 2.32 0.00 -1.26 0.45 105.19 111.67 2jqi n GLY 133 Ca -0.16 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.00 3.18 0.00 1.61 1.01 -1.26 -3.64 120.40 119.30 2jqi s VAL 134 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.15 2jqi s VAL 134 Cb 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2jqi s VAL 134 CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.98 2jqi n GLY 135 N 0.99 2.52 3.10 4.51 0.00 -1.26 -4.97 105.19 110.07 2jqi n GLY 135 Ca -0.00 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 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 0.31 1.61 1.01 -1.26 -5.03 120.40 118.43 2jqi s VAL 136 Ca 0.00 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.39 2jqi s VAL 136 Cb 0.00 -1.23 0.30 0.00 0.00 0.00 0.00 36.38 35.45 2jqi s VAL 136 CO 0.00 0.41 1.76 1.05 0.00 0.00 0.00 175.10 178.32 2jqi h GLU 137 N 6.66 0.70 -0.33 2.72 4.11 -1.99 0.91 114.58 127.35 2jqi h GLU 137 Ca -0.29 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.09 2jqi h GLU 137 Cb 1.19 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2jqi h GLU 137 CO 0.47 0.46 0.00 0.43 0.07 0.00 0.00 179.01 180.45 2jqi n SER 138 N -4.80 2.44 -0.55 3.06 7.64 -1.26 -4.19 113.62 115.96 2jqi n SER 138 Ca 0.24 -1.88 0.06 0.00 1.01 0.00 0.00 58.87 58.30 2jqi n SER 138 Cb 0.61 -0.22 0.20 0.00 -1.01 0.00 0.00 64.21 63.79 2jqi n SER 138 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2jqi n ASP 139 N 0.82 1.85 -4.67 6.43 -0.08 0.31 -5.01 116.55 116.20 2jqi n ASP 139 Ca 0.17 -3.78 -0.35 0.00 -1.51 0.00 0.00 54.79 49.32 2jqi n ASP 139 Cb 0.43 -0.52 -0.10 0.00 2.34 0.00 0.00 41.12 43.27 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 -3.18 4.25 -0.06 5.18 1.01 -1.21 -4.36 121.20 122.83 2jqi s ILE 140 Ca 0.37 -0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.80 2jqi s ILE 140 Cb 0.36 -2.79 -0.00 0.00 0.01 0.00 0.00 42.46 40.04 2jqi s ILE 140 CO -0.05 0.60 -0.20 -0.22 0.00 0.00 0.00 174.94 175.07 2jqi s LEU 141 N -0.83 1.97 0.11 2.97 0.20 0.17 -4.97 118.68 118.29 2jqi s LEU 141 Ca 0.13 -0.43 0.06 0.00 0.69 0.00 0.00 54.13 54.58 2jqi s LEU 141 Cb -0.11 -1.15 -0.04 0.00 -0.43 0.00 0.00 46.19 44.46 2jqi s LEU 141 CO 0.02 0.18 -0.02 -0.55 -0.29 0.00 0.00 176.35 175.68 2jqi s SER 142 N 0.05 4.84 0.08 3.68 0.15 -1.26 0.97 113.70 122.20 2jqi s SER 142 Ca -0.06 -0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.35 2jqi s SER 142 Cb -0.13 -1.08 -0.04 0.00 -1.71 0.00 0.00 66.02 63.06 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 -2.38 2.43 -0.03 3.45 1.43 0.19 -3.52 118.68 120.25 2jqi s LEU 143 Ca 0.25 -0.86 0.05 0.00 -1.03 0.00 0.00 54.13 52.54 2jqi s LEU 143 Cb -0.11 -0.12 -0.01 0.00 0.03 0.00 0.00 46.19 45.98 2jqi s LEU 143 CO 0.17 -0.37 -0.19 -0.69 0.23 0.00 0.00 176.35 175.50 2jqi s VAL 144 N -2.89 1.53 -0.22 -1.59 1.01 0.37 0.37 120.40 118.98 2jqi s VAL 144 Ca 0.05 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 2jqi s VAL 144 Cb 0.00 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2jqi s VAL 144 CO -0.03 0.44 0.05 -0.63 0.00 0.00 0.00 175.10 174.93 2jqi s ILE 145 N -0.17 4.30 -0.27 2.22 1.01 0.23 0.90 121.20 129.42 2jqi s ILE 145 Ca 0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 2jqi s ILE 145 Cb -0.10 -2.98 0.01 0.00 0.01 0.00 0.00 42.46 39.41 2jqi s ILE 145 CO 0.01 0.39 0.02 0.12 0.00 0.00 0.00 174.94 175.48 2jqi s PHE 146 N 1.18 3.11 0.03 3.97 5.36 0.41 -1.93 117.98 130.12 2jqi s PHE 146 Ca 0.04 -1.20 -0.25 0.00 -0.96 0.00 0.00 56.93 54.56 2jqi s PHE 146 Cb -0.14 -2.17 -0.05 0.00 -0.34 0.00 0.00 43.02 40.31 2jqi s PHE 146 CO 0.03 -0.63 0.76 0.42 -1.46 0.00 0.00 175.22 174.34 2jqi s ILE 147 N 1.43 4.76 -0.38 3.12 1.01 -1.26 0.13 121.20 130.02 2jqi s ILE 147 Ca 0.02 1.62 -0.27 0.00 0.00 0.00 0.00 60.65 62.02 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 -0.00 0.35 0.99 0.21 0.00 0.00 0.00 174.94 176.48 2jqi s ASN 148 N 0.03 6.71 0.45 3.58 2.47 -1.14 -4.91 114.94 122.14 2jqi s ASN 148 Ca 0.39 0.64 0.16 0.00 0.42 0.00 0.00 52.86 54.46 2jqi s ASN 148 Cb -0.20 -2.49 1.04 0.00 -1.45 0.00 0.00 41.25 38.15 2jqi s ASN 148 CO 0.23 -0.93 2.00 -0.78 -3.72 0.00 0.00 177.10 173.90 2jqi h ASP 149 N 8.53 0.00 -0.39 -4.21 3.58 -1.92 -2.71 116.42 119.31 2jqi h ASP 149 Ca -0.23 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.23 2jqi h ASP 149 Cb 1.07 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.10 2jqi h ASP 149 CO 1.01 0.18 0.25 0.11 -2.88 0.00 0.00 179.24 177.91 2jqi h LYS 150 N 0.00 0.51 -0.61 0.28 6.56 -1.92 -1.30 116.57 120.09 2jqi h LYS 150 Ca -0.00 -0.04 0.01 0.00 -1.06 0.00 0.00 60.65 59.57 2jqi h LYS 150 Cb 0.32 -0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 31.84 2jqi h LYS 150 CO 0.02 0.36 0.40 0.35 -2.06 0.00 0.00 179.45 178.52 2jqi h PHE 151 N 0.52 0.75 -0.29 -1.35 3.57 -1.69 -2.08 116.94 116.36 2jqi h PHE 151 Ca 0.14 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 2jqi h PHE 151 Cb -0.04 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 2jqi h PHE 151 CO -0.04 0.45 -0.04 0.87 -2.23 0.00 0.00 178.31 177.32 2jqi h LYS 152 N 0.80 0.46 -0.34 1.11 1.57 -1.42 -2.41 116.57 116.34 2jqi h LYS 152 Ca 0.23 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2jqi h LYS 152 Cb -0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2jqi h LYS 152 CO -0.07 0.52 0.20 0.37 -0.57 0.00 0.00 179.45 179.90 2jqi h GLN 153 N 0.44 0.39 -0.23 3.15 5.75 -0.53 0.62 115.11 124.70 2jqi h GLN 153 Ca 0.09 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.53 2jqi h GLN 153 Cb 0.35 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 2jqi h GLN 153 CO 0.01 0.26 -0.02 0.00 -2.65 0.00 0.00 178.83 176.44 2jqi h LEU 155 N 0.17 1.07 -0.79 0.00 3.38 -1.25 0.82 115.31 118.70 2jqi h LEU 155 Ca 0.06 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.76 2jqi h LEU 155 Cb 0.44 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2jqi h LEU 155 CO 0.02 1.08 0.52 -0.33 0.09 0.00 0.00 178.44 179.81 2jqi h GLU 156 N 1.02 1.05 0.15 1.13 5.08 0.31 -2.95 114.58 120.37 2jqi h GLU 156 Ca 0.19 -0.07 -0.32 0.00 -1.00 0.00 0.00 59.36 58.17 2jqi h GLU 156 Cb 0.49 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2jqi h GLU 156 CO 0.02 0.71 -1.53 1.96 -1.00 0.00 0.00 179.01 179.17 2jqi h GLN 157 N 1.08 0.32 -6.14 2.33 4.20 -1.23 -3.47 115.11 112.19 2jqi h GLN 157 Ca 0.29 -0.55 -0.38 0.00 0.06 0.00 0.00 58.65 58.07 2jqi h GLN 157 Cb -0.11 0.20 -0.20 0.00 0.30 0.00 0.00 27.48 27.68 2jqi h GLN 157 CO -0.06 1.21 -0.55 0.27 -0.67 0.00 0.00 178.83 179.03 2jqi n ASN 158 N -3.53 -2.00 -4.14 1.46 0.23 0.28 -4.91 115.26 102.66 2jqi n ASN 158 Ca -0.17 -0.52 -0.28 0.00 -0.53 0.00 0.00 54.58 53.08 2jqi n ASN 158 Cb 1.06 -1.75 -0.16 0.00 -2.08 0.00 0.00 39.78 36.84 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 -6.28 2.16 -0.04 -3.83 2.20 -1.26 -5.09 119.74 107.60 2jqi s LYS 159 Ca 0.48 -0.65 -0.10 0.00 -0.36 0.00 0.00 55.97 55.34 2jqi s LYS 159 Cb -0.28 -1.76 -0.05 0.00 -1.51 0.00 0.00 37.83 34.23 2jqi s LYS 159 CO 0.59 0.18 0.29 0.14 -0.36 0.00 0.00 175.35 176.19 2jqi s VAL 160 N 0.27 5.25 0.00 4.02 -7.23 -1.26 -4.88 120.40 116.58 2jqi s VAL 160 Ca -0.11 0.48 0.00 0.00 -1.81 0.00 0.00 61.98 60.54 2jqi s VAL 160 Cb -0.15 -3.57 0.00 0.00 0.56 0.00 0.00 36.38 33.22 2jqi s VAL 160 CO 0.04 0.54 0.00 0.47 -0.31 0.00 0.00 175.10 175.85 2jqi n ASP 161 N 1.71 0.00 -4.24 4.85 8.00 -1.26 -5.07 116.55 120.55 2jqi n ASP 161 Ca -0.15 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.92 2jqi n ASP 161 Cb 0.53 0.14 -0.07 0.00 -0.02 0.00 0.00 41.12 41.71 2jqi n ASP 161 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jqi s ARG 162 N -1.35 2.77 -0.06 -1.24 3.03 -1.26 -5.06 118.95 115.77 2jqi s ARG 162 Ca 0.00 -1.95 -0.10 0.00 2.03 0.00 0.00 55.73 55.70 2jqi s ARG 162 Cb 0.00 -4.06 -0.05 0.00 -1.03 0.00 0.00 34.95 29.81 2jqi s ARG 162 CO 0.00 -1.24 0.26 0.96 -1.13 0.00 0.00 175.30 174.16 2jqi s ILE 163 N 1.06 5.29 0.00 4.99 -4.36 -1.26 -5.26 121.20 121.66 2jqi s ILE 163 Ca 0.08 0.49 0.00 0.00 -0.26 0.00 0.00 60.65 60.97 2jqi s ILE 163 Cb -0.24 -3.54 0.00 0.00 1.25 0.00 0.00 42.46 39.93 2jqi s ILE 163 CO -0.02 0.60 0.12 -1.14 0.24 0.00 0.00 174.94 174.74