#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 0.82 -0.04 0.00 5.66 -1.26 -4.21 114.28 115.26 2jqi n THR 15 Ca 0.00 -0.41 -0.14 0.00 -3.05 0.00 0.00 64.05 60.45 2jqi n THR 15 Cb 0.00 -0.85 -0.09 0.00 -1.55 0.00 0.00 70.33 67.84 2jqi n THR 15 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 2jqi h GLN 16 N 0.00 0.25 -0.54 1.09 1.08 -2.06 -3.00 115.11 111.93 2jqi h GLN 16 Ca -0.32 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 56.68 2jqi h GLN 16 Cb 1.62 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 29.05 2jqi h GLN 16 CO -0.02 0.77 0.24 0.00 -0.95 0.00 0.00 178.83 178.88 2jqi h ARG 17 N -0.24 0.76 -0.76 1.46 2.47 -2.01 -2.05 114.38 114.02 2jqi h ARG 17 Ca -0.00 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 2jqi h ARG 17 Cb 0.78 -0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 28.91 2jqi h ARG 17 CO 0.04 0.60 0.48 0.35 0.56 0.00 0.00 179.97 182.00 2jqi h PHE 18 N 0.76 0.97 -0.19 3.04 3.04 -1.72 -1.38 116.94 121.46 2jqi h PHE 18 Ca 0.19 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.07 2jqi h PHE 18 Cb 0.11 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.28 2jqi h PHE 18 CO 0.01 0.63 -0.21 -0.07 -2.02 0.00 0.00 178.31 176.65 2jqi h LEU 19 N 1.03 0.33 -0.40 0.59 3.38 -1.23 -2.73 115.31 116.28 2jqi h LEU 19 Ca 0.27 -0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.97 2jqi h LEU 19 Cb -0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2jqi h LEU 19 CO -0.06 0.55 -0.71 0.40 0.09 0.00 0.00 178.44 178.72 2jqi h ILE 20 N 0.31 1.36 -0.47 1.22 2.04 -1.09 -3.02 117.51 117.87 2jqi h ILE 20 Ca 0.05 -2.08 0.04 0.00 1.00 0.00 0.00 64.86 63.87 2jqi h ILE 20 Cb 0.54 2.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.64 2jqi h ILE 20 CO 0.04 0.63 0.24 -0.08 0.00 0.00 0.00 178.15 178.97 2jqi h GLU 21 N 0.31 0.45 0.00 2.37 4.81 -0.99 -0.28 114.58 121.25 2jqi h GLU 21 Ca -0.03 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2jqi h GLU 21 Cb 1.29 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 2jqi h GLU 21 CO 0.13 0.30 -0.13 1.57 -0.73 0.00 0.00 179.01 180.15 2jqi h LYS 22 N 0.47 0.00 -0.37 1.92 2.10 -1.55 -2.94 116.57 116.20 2jqi h LYS 22 Ca 0.20 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.90 2jqi h LYS 22 Cb 0.11 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.40 2jqi h LYS 22 CO -0.14 0.13 0.13 0.35 -2.00 0.00 0.00 179.45 177.92 2jqi h PHE 23 N 0.00 0.23 -0.00 0.07 3.04 -0.91 -1.11 116.94 118.26 2jqi h PHE 23 Ca -0.00 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 61.79 2jqi h PHE 23 Cb 0.45 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.90 2jqi h PHE 23 CO 0.00 0.09 -0.81 0.77 -2.02 0.00 0.00 178.31 176.34 2jqi h SER 24 N 0.28 0.14 -3.03 0.41 0.02 -1.46 -3.40 113.55 106.51 2jqi h SER 24 Ca 0.17 -0.11 -0.59 0.00 -0.84 0.00 0.00 61.79 60.42 2jqi h SER 24 Cb 0.15 -0.04 -0.40 0.00 0.14 0.00 0.00 62.40 62.25 2jqi h SER 24 CO -0.18 0.89 -0.79 -1.58 -1.14 0.00 0.00 176.83 174.03 2jqi s GLN 25 N -3.26 0.83 0.14 3.45 0.74 -0.88 -5.12 119.66 115.56 2jqi s GLN 25 Ca -0.02 -1.50 -0.14 0.00 0.05 0.00 0.00 55.36 53.75 2jqi s GLN 25 Cb 0.11 -1.78 -0.07 0.00 1.10 0.00 0.00 33.01 32.37 2jqi s GLN 25 CO 0.81 -1.15 0.54 -2.00 -0.55 0.00 0.00 175.29 172.94 2jqi s GLU 26 N 0.94 3.96 -0.40 1.67 2.12 -0.47 -4.38 118.70 122.13 2jqi s GLU 26 Ca 0.16 0.47 -0.21 0.00 0.36 0.00 0.00 54.97 55.75 2jqi s GLU 26 Cb -0.22 -2.94 0.01 0.00 0.26 0.00 0.00 34.13 31.24 2jqi s GLU 26 CO -0.05 0.49 0.64 -1.14 -0.54 0.00 0.00 175.26 174.66 2jqi s GLN 27 N -1.95 3.46 0.17 4.30 0.74 -1.26 -5.04 119.66 120.07 2jqi s GLN 27 Ca 0.37 -0.18 -0.28 0.00 0.05 0.00 0.00 55.36 55.32 2jqi s GLN 27 Cb -0.15 -3.89 -0.08 0.00 1.10 0.00 0.00 33.01 30.00 2jqi s GLN 27 CO 0.19 -0.89 0.86 0.42 -0.55 0.00 0.00 175.29 175.32 2jqi s ILE 28 N 2.78 4.34 0.00 -2.34 -1.09 -1.26 -4.00 121.20 119.63 2jqi s ILE 28 Ca 0.23 1.89 0.00 0.00 -2.23 0.00 0.00 60.65 60.54 2jqi s ILE 28 Cb -0.14 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.50 2jqi s ILE 28 CO 0.17 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.95 2jqi n GLY 29 N 1.78 1.55 0.26 6.18 0.00 -1.26 -5.00 105.19 108.71 2jqi n GLY 29 Ca -0.03 -0.21 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 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 0.70 0.00 1.61 4.81 -2.02 -3.41 114.58 116.27 2jqi h GLU 30 Ca 0.00 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2jqi h GLU 30 Cb 0.22 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2jqi h GLU 30 CO 0.00 0.84 0.00 0.09 -0.73 0.00 0.00 179.01 179.21 2jqi n ASN 31 N -4.14 0.00 -4.74 1.04 3.02 -1.26 -5.05 115.26 104.13 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 0.40 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.53 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 3.59 -0.14 2.41 -1.09 -1.26 -1.00 121.20 123.70 2jqi s ILE 32 Ca 0.00 1.36 -0.10 0.00 -2.23 0.00 0.00 60.65 59.68 2jqi s ILE 32 Cb 0.00 -3.87 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 2jqi s ILE 32 CO 0.00 0.23 -0.20 0.52 -1.23 0.00 0.00 174.94 174.26 2jqi n VAL 33 N 2.37 1.35 -3.76 2.92 0.31 0.95 -4.36 118.33 118.10 2jqi n VAL 33 Ca 0.04 0.22 -0.13 0.00 -0.01 0.00 0.00 64.34 64.46 2jqi n VAL 33 Cb 0.45 -2.33 -0.08 0.00 -0.91 0.00 0.00 33.84 30.96 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 -1.62 2.99 -0.25 0.00 3.00 0.31 -1.39 118.95 121.99 2jqi s ARG 35 Ca -0.12 -0.68 -0.10 0.00 -1.00 0.00 0.00 55.73 53.84 2jqi s ARG 35 Cb -0.04 -2.53 -0.05 0.00 0.00 0.00 0.00 34.95 32.33 2jqi s ARG 35 CO 0.02 0.41 0.15 0.08 0.00 0.00 0.00 175.30 175.96 2jqi s VAL 36 N -0.16 5.09 -0.10 7.11 1.01 -1.12 0.14 120.40 132.38 2jqi s VAL 36 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2jqi s VAL 36 Cb -0.13 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.88 2jqi s VAL 36 CO 0.03 0.32 -0.09 -0.63 0.00 0.00 0.00 175.10 174.73 2jqi s ILE 37 N 1.36 1.09 -0.26 2.22 1.01 0.29 -2.61 121.20 124.30 2jqi s ILE 37 Ca 0.07 -0.37 -0.26 0.00 0.00 0.00 0.00 60.65 60.09 2jqi s ILE 37 Cb -0.15 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.26 2jqi s ILE 37 CO 0.06 0.37 0.92 0.00 0.00 0.00 0.00 174.94 176.29 2jqi h THR 39 N 5.50 0.81 0.00 0.00 1.35 -1.91 -3.24 112.91 115.43 2jqi h THR 39 Ca -0.22 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.42 2jqi h THR 39 Cb 1.08 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.84 2jqi h THR 39 CO 0.93 0.46 0.00 0.35 -0.25 0.00 0.00 175.52 177.01 2jqi n THR 40 N -3.14 0.00 -2.72 6.82 -2.24 -1.25 -4.95 114.28 106.79 2jqi n THR 40 Ca -0.01 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.72 2jqi n THR 40 Cb 0.77 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.51 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 1.11 -1.20 0.97 3.38 0.00 -1.22 -4.99 105.19 103.23 2jqi n GLY 41 Ca 0.20 0.89 0.00 0.00 0.00 0.00 0.00 46.02 47.11 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 -0.69 0.00 -4.49 1.61 6.02 -1.26 -5.11 117.38 113.46 2jqi n GLN 42 Ca 0.08 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.73 2jqi n GLN 42 Cb 0.43 -0.18 -0.10 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 -1.48 3.94 0.15 5.09 1.01 -1.26 -4.80 121.20 123.84 2jqi s ILE 43 Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 59.88 2jqi s ILE 43 Cb 0.00 -2.66 -0.07 0.00 0.01 0.00 0.00 42.46 39.74 2jqi s ILE 43 CO 0.00 0.55 1.21 -2.16 0.00 0.00 0.00 174.94 174.53 2jqi s PRO 44 N -1.01 4.47 0.29 2.79 0.04 -1.26 -4.36 135.00 135.96 2jqi s PRO 44 Ca 0.14 1.86 -0.29 0.00 0.04 0.00 0.00 61.00 62.75 2jqi s PRO 44 Cb -0.11 -3.27 -0.13 0.00 0.04 0.00 0.00 34.50 31.03 2jqi s PRO 44 CO 0.04 -0.14 1.19 -0.89 0.04 0.00 0.00 177.00 177.24 2jqi n ILE 45 N 2.93 1.73 -4.30 0.56 5.41 -1.26 -4.93 119.36 119.50 2jqi n ILE 45 Ca 0.06 -0.43 -0.16 0.00 1.00 0.00 0.00 62.75 63.22 2jqi n ILE 45 Cb 0.45 -1.28 -0.10 0.00 -0.71 0.00 0.00 39.64 38.00 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 -1.39 1.22 -0.21 0.38 3.52 -1.07 -5.05 118.95 116.35 2jqi s ARG 46 Ca 0.60 -1.57 -0.02 0.00 -0.13 0.00 0.00 55.73 54.61 2jqi s ARG 46 Cb -0.65 -0.63 0.01 0.00 -1.56 0.00 0.00 34.95 32.11 2jqi s ARG 46 CO 0.58 -0.01 -0.11 0.16 -0.81 0.00 0.00 175.30 175.11 2jqi s ASP 47 N -3.25 3.81 -0.11 -2.12 1.47 -1.26 -2.80 116.67 112.41 2jqi s ASP 47 Ca 0.23 -0.54 -0.14 0.00 1.18 0.00 0.00 52.55 53.29 2jqi s ASP 47 Cb 0.04 -1.62 -0.05 0.00 -0.34 0.00 0.00 42.92 40.95 2jqi s ASP 47 CO 0.05 -0.02 0.34 -0.76 0.68 0.00 0.00 175.17 175.46 2jqi s LEU 48 N 1.39 4.32 0.07 2.11 1.43 -0.48 -5.02 118.68 122.49 2jqi s LEU 48 Ca 0.05 0.67 -0.08 0.00 -1.03 0.00 0.00 54.13 53.75 2jqi s LEU 48 Cb -0.14 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 2jqi s LEU 48 CO -0.07 0.17 0.15 -0.94 0.23 0.00 0.00 176.35 175.89 2jqi s SER 49 N -0.06 0.16 0.00 2.29 1.04 -1.26 -0.04 113.70 115.83 2jqi s SER 49 Ca 0.20 -0.63 -0.02 0.00 0.48 0.00 0.00 55.95 55.98 2jqi s SER 49 Cb -0.14 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.27 2jqi s SER 49 CO 0.07 -0.66 0.03 0.00 0.98 0.00 0.00 173.24 173.67 2jqi s ALA 50 N -3.50 -0.06 -0.15 5.32 0.00 -0.17 -4.78 121.76 118.42 2jqi s ALA 50 Ca 0.02 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.48 2jqi s ALA 50 Cb 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 2jqi s ALA 50 CO -0.09 -0.11 1.27 -0.51 0.00 0.00 0.00 175.76 176.32 2jqi s ASP 51 N -0.85 6.94 0.22 0.00 1.01 -1.26 -4.68 116.67 118.05 2jqi s ASP 51 Ca -0.09 1.72 -0.06 0.00 0.71 0.00 0.00 52.55 54.83 2jqi s ASP 51 Cb -0.06 -2.54 0.19 0.00 1.01 0.00 0.00 42.92 41.52 2jqi s ASP 51 CO -0.00 -0.75 1.71 0.40 0.21 0.00 0.00 175.17 176.74 2jqi h ILE 52 N 5.44 1.26 -0.66 0.77 2.04 -1.97 -2.84 117.51 121.55 2jqi h ILE 52 Ca -0.28 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.54 2jqi h ILE 52 Cb 1.11 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 2jqi h ILE 52 CO 0.96 0.38 0.43 0.77 0.00 0.00 0.00 178.15 180.69 2jqi h SER 53 N 0.92 0.78 -0.17 1.72 4.64 -1.98 0.38 113.55 119.83 2jqi h SER 53 Ca 0.18 -0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.34 2jqi h SER 53 Cb 0.47 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2jqi h SER 53 CO 0.02 0.58 -0.32 0.06 -0.87 0.00 0.00 176.83 176.30 2jqi h GLN 54 N 0.90 0.67 -0.12 4.77 3.07 -1.94 0.58 115.11 123.04 2jqi h GLN 54 Ca 0.24 -0.31 -0.05 0.00 0.09 0.00 0.00 58.65 58.62 2jqi h GLN 54 Cb -0.08 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 27.47 2jqi h GLN 54 CO -0.05 0.90 -0.13 0.28 0.09 0.00 0.00 178.83 179.93 2jqi h VAL 55 N 0.57 1.35 -0.10 1.86 2.07 -1.20 0.70 116.25 121.50 2jqi h VAL 55 Ca 0.06 -1.29 -0.10 0.00 0.82 0.00 0.00 66.70 66.19 2jqi h VAL 55 Cb 0.82 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 2jqi h VAL 55 CO 0.07 0.37 -0.40 0.25 0.02 0.00 0.00 177.57 177.89 2jqi h LEU 56 N -0.09 0.23 0.07 2.57 6.46 -0.22 -3.23 115.31 121.10 2jqi h LEU 56 Ca 0.02 -0.09 -0.15 0.00 -0.12 0.00 0.00 57.88 57.54 2jqi h LEU 56 Cb 0.66 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 2jqi h LEU 56 CO 0.03 0.61 -0.73 0.50 -0.62 0.00 0.00 178.44 178.24 2jqi h LYS 57 N 0.19 0.16 -5.55 1.25 3.64 -0.85 -3.45 116.57 111.96 2jqi h LYS 57 Ca 0.02 -0.27 -0.59 0.00 -1.27 0.00 0.00 60.65 58.55 2jqi h LYS 57 Cb 0.79 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 32.61 2jqi h LYS 57 CO 0.06 1.13 -0.25 -2.00 -2.27 0.00 0.00 179.45 176.12 2jqi s GLU 58 N -2.36 4.27 -0.82 1.90 -6.30 0.24 -5.03 118.70 110.60 2jqi s GLU 58 Ca -0.18 0.22 0.00 0.00 -2.50 0.00 0.00 54.97 52.51 2jqi s GLU 58 Cb 0.01 -3.45 0.20 0.00 0.00 0.00 0.00 34.13 30.89 2jqi s GLU 58 CO 0.74 0.16 0.67 0.21 0.02 0.00 0.00 175.26 177.06 2jqi s LYS 59 N 0.69 2.97 0.25 4.30 2.36 -1.26 -4.47 119.74 124.58 2jqi s LYS 59 Ca 0.20 -3.26 0.01 0.00 -2.55 0.00 0.00 55.97 50.37 2jqi s LYS 59 Cb -0.14 -3.77 0.01 0.00 -1.05 0.00 0.00 37.83 32.88 2jqi s LYS 59 CO 0.06 -1.26 0.10 -2.13 1.55 0.00 0.00 175.35 173.67 2jqi n ARG 60 N 2.29 1.26 0.08 4.03 0.63 -1.26 -5.05 116.66 118.64 2jqi n ARG 60 Ca 0.20 -1.69 -0.11 0.00 -0.92 0.00 0.00 57.85 55.33 2jqi n ARG 60 Cb 0.36 0.32 -0.12 0.00 0.45 0.00 0.00 32.46 33.47 2jqi n ARG 60 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2jqi h SER 61 N 0.44 0.19 -4.32 6.15 0.87 -1.96 -3.43 113.55 111.49 2jqi h SER 61 Ca -0.18 -0.20 -0.44 0.00 -1.23 0.00 0.00 61.79 59.73 2jqi h SER 61 Cb 0.60 -0.06 -0.25 0.00 -0.44 0.00 0.00 62.40 62.25 2jqi h SER 61 CO 0.29 1.14 -0.79 -0.51 -0.53 0.00 0.00 176.83 176.44 2jqi s ILE 62 N -2.73 1.10 0.02 2.23 1.10 -1.26 -3.55 121.20 118.10 2jqi s ILE 62 Ca -0.01 -0.98 -0.05 0.00 -0.51 0.00 0.00 60.65 59.10 2jqi s ILE 62 Cb 0.09 -0.99 -0.02 0.00 0.15 0.00 0.00 42.46 41.69 2jqi s ILE 62 CO 0.85 0.01 -0.09 0.29 -2.11 0.00 0.00 174.94 173.89 2jqi n LYS 63 N 1.93 0.14 -3.69 3.50 4.01 0.14 -4.99 118.16 119.20 2jqi n LYS 63 Ca -0.18 0.06 -0.13 0.00 -0.51 0.00 0.00 58.31 57.55 2jqi n LYS 63 Cb 0.55 -0.74 -0.09 0.00 -0.51 0.00 0.00 35.03 34.24 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 -2.23 0.61 -0.01 1.97 2.20 -1.16 -5.01 119.74 116.12 2jqi s LYS 64 Ca -0.08 0.78 0.04 0.00 -0.36 0.00 0.00 55.97 56.35 2jqi s LYS 64 Cb 0.01 0.26 -0.01 0.00 -1.51 0.00 0.00 37.83 36.59 2jqi s LYS 64 CO 0.11 -0.09 -0.12 0.08 -0.36 0.00 0.00 175.35 174.98 2jqi s VAL 65 N 0.48 0.94 -0.11 4.02 1.01 -1.26 -0.22 120.40 125.27 2jqi s VAL 65 Ca -0.02 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 2jqi s VAL 65 Cb -0.04 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 2jqi s VAL 65 CO -0.02 0.27 0.09 0.26 0.00 0.00 0.00 175.10 175.70 2jqi s TRP 66 N -0.20 3.42 -0.15 5.22 0.51 0.54 -4.89 118.94 123.40 2jqi s TRP 66 Ca 0.03 0.39 -0.02 0.00 -2.12 0.00 0.00 56.10 54.38 2jqi s TRP 66 Cb -0.05 -1.89 -0.02 0.00 -0.81 0.00 0.00 33.47 30.69 2jqi s TRP 66 CO -0.00 0.61 -0.08 0.99 -0.51 0.00 0.00 176.95 177.95 2jqi s THR 67 N -0.90 3.44 0.06 2.01 2.01 -1.26 0.15 115.64 121.15 2jqi s THR 67 Ca 0.14 -0.52 0.10 0.00 0.31 0.00 0.00 61.69 61.72 2jqi s THR 67 Cb -0.12 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 2jqi s THR 67 CO 0.03 0.50 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.84 2jqi s PHE 68 N 0.43 2.31 -5.00 4.92 0.40 0.50 0.19 117.98 121.73 2jqi s PHE 68 Ca -0.07 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.85 2jqi s PHE 68 Cb -0.15 -1.36 0.00 0.00 0.51 0.00 0.00 43.02 42.02 2jqi s PHE 68 CO 0.04 0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.53 2jqi n GLY 69 N 1.64 -1.09 0.05 4.36 0.00 -0.83 0.12 105.19 109.45 2jqi n GLY 69 Ca -0.17 -1.20 0.09 0.00 0.00 0.00 0.00 46.02 44.74 2jqi n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jqi n ARG 70 N 0.00 1.07 -2.95 1.61 1.74 0.42 -0.36 116.66 118.19 2jqi n ARG 70 Ca 0.00 -0.11 -0.40 0.00 -0.77 0.00 0.00 57.85 56.57 2jqi n ARG 70 Cb 0.00 -1.29 -0.04 0.00 -1.02 0.00 0.00 32.46 30.11 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 -1.55 7.11 0.29 0.55 2.47 0.15 -4.77 114.94 119.19 2jqi s ASN 71 Ca 0.27 1.34 0.23 0.00 0.42 0.00 0.00 52.86 55.11 2jqi s ASN 71 Cb 0.13 -2.46 1.06 0.00 -1.45 0.00 0.00 41.25 38.53 2jqi s ASN 71 CO 0.21 -0.14 1.68 -2.65 -3.72 0.00 0.00 177.10 172.49 2jqi n PRO 72 N 3.69 0.17 0.03 0.43 -0.02 -1.26 -1.78 135.00 136.26 2jqi n PRO 72 Ca 0.00 0.52 -0.21 0.00 -2.02 0.00 0.00 63.50 61.80 2jqi n PRO 72 Cb 0.51 -1.91 -0.14 0.00 -0.02 0.00 0.00 33.50 31.94 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 2.14 0.04 -0.94 3.55 0.00 -1.94 -3.47 119.26 118.63 2jqi h ALA 73 Ca 0.00 -0.89 -0.64 0.00 0.00 0.00 0.00 54.91 53.38 2jqi h ALA 73 Cb 0.20 0.29 0.10 0.00 0.00 0.00 0.00 17.79 18.38 2jqi h ALA 73 CO 0.00 0.60 -0.48 0.00 0.00 0.00 0.00 179.25 179.37 2jqi h ASP 75 N 1.00 0.00 -3.19 0.00 5.19 0.19 -3.37 116.42 116.23 2jqi h ASP 75 Ca -0.27 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.62 2jqi h ASP 75 Cb 1.36 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 40.50 2jqi h ASP 75 CO 0.54 0.00 -0.80 -0.47 -3.12 0.00 0.00 179.24 175.39 2jqi s TYR 76 N -4.01 1.40 -0.46 4.55 5.04 -0.62 -4.95 117.35 118.29 2jqi s TYR 76 Ca -0.04 -0.69 -0.22 0.00 -2.44 0.00 0.00 57.07 53.68 2jqi s TYR 76 Cb 0.10 -1.19 0.03 0.00 0.35 0.00 0.00 41.96 41.25 2jqi s TYR 76 CO 0.31 -0.50 0.75 -1.58 -1.34 0.00 0.00 175.55 173.19 2jqi s HIS 77 N 1.74 2.99 0.29 4.97 2.46 -1.26 -1.97 115.29 124.52 2jqi s HIS 77 Ca 0.05 0.02 0.07 0.00 0.47 0.00 0.00 55.06 55.67 2jqi s HIS 77 Cb -0.13 -3.61 -0.03 0.00 -0.13 0.00 0.00 32.58 28.68 2jqi s HIS 77 CO -0.08 -1.00 0.24 -0.51 -2.47 0.00 0.00 174.74 170.92 2jqi s LEU 78 N 3.17 3.71 0.18 8.88 1.43 0.52 -4.76 118.68 131.81 2jqi s LEU 78 Ca 0.27 -0.37 -0.32 0.00 -1.03 0.00 0.00 54.13 52.67 2jqi s LEU 78 Cb -0.13 -2.28 -0.12 0.00 0.03 0.00 0.00 46.19 43.68 2jqi s LEU 78 CO 0.20 -0.19 1.70 0.61 0.23 0.00 0.00 176.35 178.90 2jqi n GLY 79 N -1.27 1.44 3.57 -3.19 0.00 -1.26 -4.32 105.19 100.16 2jqi n GLY 79 Ca -0.05 0.64 -0.20 0.00 0.00 0.00 0.00 46.02 46.42 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 4.02 1.83 -4.73 1.61 6.94 -1.26 -4.76 115.26 118.91 2jqi n ASN 80 Ca 0.17 -2.55 -0.35 0.00 -0.02 0.00 0.00 54.58 51.82 2jqi n ASN 80 Cb 0.33 -1.68 -0.09 0.00 -2.36 0.00 0.00 39.78 35.98 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 15.14 4.64 0.48 1.53 -1.09 -1.26 -5.00 121.20 135.63 2jqi s ILE 81 Ca 0.77 -0.12 0.12 0.00 -2.23 0.00 0.00 60.65 59.20 2jqi s ILE 81 Cb -0.03 -2.98 0.27 0.00 -1.58 0.00 0.00 42.46 38.14 2jqi s ILE 81 CO 0.18 0.60 2.11 0.28 -1.23 0.00 0.00 174.94 176.89 2jqi h SER 82 N 5.16 0.19 0.45 3.58 0.02 -2.00 -1.51 113.55 119.44 2jqi h SER 82 Ca -0.51 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.34 2jqi h SER 82 Cb 1.20 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 2jqi h SER 82 CO 0.56 0.14 -0.43 0.03 -1.14 0.00 0.00 176.83 175.99 2jqi h ARG 83 N 0.22 0.00 -6.07 3.45 -0.00 -1.94 -3.44 114.38 106.60 2jqi h ARG 83 Ca 0.06 0.00 -0.59 0.00 -0.50 0.00 0.00 59.98 58.95 2jqi h ARG 83 Cb -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 29.90 2jqi h ARG 83 CO -0.01 0.43 -0.52 -0.51 0.00 0.00 0.00 179.97 179.35 2jqi s LEU 84 N -8.00 4.12 0.31 3.04 1.02 -0.57 -4.27 118.68 114.33 2jqi s LEU 84 Ca -0.02 0.09 0.04 0.00 0.02 0.00 0.00 54.13 54.26 2jqi s LEU 84 Cb 0.14 -2.73 -0.02 0.00 0.02 0.00 0.00 46.19 43.60 2jqi s LEU 84 CO 0.73 0.11 0.46 -0.44 0.02 0.00 0.00 176.35 177.23 2jqi s SER 85 N -2.84 6.14 0.23 2.29 0.01 -1.26 -4.60 113.70 113.67 2jqi s SER 85 Ca 0.33 0.07 -0.15 0.00 1.31 0.00 0.00 55.95 57.51 2jqi s SER 85 Cb -0.12 -1.64 0.27 0.00 0.21 0.00 0.00 66.02 64.74 2jqi s SER 85 CO 0.26 -0.30 1.58 0.78 0.41 0.00 0.00 173.24 175.97 2jqi h ASN 86 N 0.92 -1.04 -3.21 2.44 2.35 -1.92 -2.12 115.58 113.00 2jqi h ASN 86 Ca -0.49 0.26 -0.63 0.00 -0.55 0.00 0.00 56.30 54.89 2jqi h ASN 86 Cb 1.24 0.59 -0.41 0.00 0.05 0.00 0.00 38.32 39.79 2jqi h ASN 86 CO 0.58 -0.29 -0.53 -0.54 -1.65 0.00 0.00 177.43 175.00 2jqi s LYS 87 N -6.11 2.51 0.14 0.81 1.02 -1.26 0.16 119.74 117.01 2jqi s LYS 87 Ca -0.14 -3.30 -0.16 0.00 0.02 0.00 0.00 55.97 52.38 2jqi s LYS 87 Cb 0.21 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 2jqi s LYS 87 CO 0.73 -1.27 1.76 1.25 -0.92 0.00 0.00 175.35 176.90 2jqi h HIS 88 N 5.52 0.52 -3.76 3.18 2.76 0.14 -3.32 115.15 120.19 2jqi h HIS 88 Ca 0.13 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.21 2jqi h HIS 88 Cb 0.77 -0.17 -0.14 0.00 1.55 0.00 0.00 27.41 29.42 2jqi h HIS 88 CO 0.68 0.38 -0.34 -0.59 -1.30 0.00 0.00 177.93 176.77 2jqi s PHE 89 N -5.95 0.11 0.00 5.26 -0.71 -0.24 0.17 117.98 116.63 2jqi s PHE 89 Ca -0.13 -0.53 0.02 0.00 -1.04 0.00 0.00 56.93 55.25 2jqi s PHE 89 Cb 0.10 -0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.88 2jqi s PHE 89 CO 0.73 -0.56 -0.05 -1.14 -1.34 0.00 0.00 175.22 172.85 2jqi s GLN 90 N -3.85 0.43 -0.14 1.99 0.74 0.51 0.19 119.66 119.53 2jqi s GLN 90 Ca 0.05 -0.29 0.01 0.00 0.05 0.00 0.00 55.36 55.18 2jqi s GLN 90 Cb 0.04 -0.37 -0.00 0.00 1.10 0.00 0.00 33.01 33.78 2jqi s GLN 90 CO -0.11 0.10 -0.16 0.42 -0.55 0.00 0.00 175.29 174.98 2jqi s ILE 91 N -0.35 2.64 0.12 -2.34 1.01 0.40 0.15 121.20 122.83 2jqi s ILE 91 Ca -0.00 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 59.92 2jqi s ILE 91 Cb -0.03 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 2jqi s ILE 91 CO -0.00 0.53 -0.05 -1.48 0.00 0.00 0.00 174.94 173.94 2jqi s LEU 92 N 0.59 3.23 -0.13 2.97 2.34 -0.48 0.20 118.68 127.40 2jqi s LEU 92 Ca -0.10 -0.34 0.01 0.00 0.06 0.00 0.00 54.13 53.76 2jqi s LEU 92 Cb -0.16 -1.96 0.02 0.00 -0.56 0.00 0.00 46.19 43.53 2jqi s LEU 92 CO 0.03 0.15 -0.14 -0.22 -1.06 0.00 0.00 176.35 175.11 2jqi s LEU 93 N -2.47 1.68 0.00 1.48 2.96 0.69 -1.13 118.68 121.90 2jqi s LEU 93 Ca 0.24 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 2jqi s LEU 93 Cb -0.11 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.46 2jqi s LEU 93 CO 0.16 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.78 2jqi n GLY 94 N 4.49 1.44 5.00 7.98 0.00 -1.25 -0.69 105.19 122.16 2jqi n GLY 94 Ca -0.18 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.01 1.61 2.13 -1.23 -3.93 120.64 119.23 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 1.75 -0.14 -1.30 4.31 2.03 -1.26 -4.99 116.55 116.94 2jqi n ASP 96 Ca 0.00 0.18 0.03 0.00 0.52 0.00 0.00 54.79 55.52 2jqi n ASP 96 Cb 0.00 0.31 0.01 0.00 -0.72 0.00 0.00 41.12 40.73 2jqi n ASP 96 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jqi n GLY 97 N -1.35 0.90 3.44 0.27 0.00 -1.26 -5.08 105.19 102.11 2jqi n GLY 97 Ca 0.00 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 2jqi n GLY 97 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jqi s ASN 98 N -1.77 2.26 0.27 1.61 0.01 -1.25 -5.04 114.94 111.02 2jqi s ASN 98 Ca 0.27 -1.55 0.11 0.00 -0.71 0.00 0.00 52.86 50.97 2jqi s ASN 98 Cb 0.30 0.31 -0.05 0.00 0.41 0.00 0.00 41.25 42.23 2jqi s ASN 98 CO -0.13 -0.83 -0.13 -0.76 -1.51 0.00 0.00 177.10 173.74 2jqi s LEU 99 N -3.50 2.80 0.04 0.60 1.43 -1.26 -3.79 118.68 115.00 2jqi s LEU 99 Ca 0.31 -0.88 0.03 0.00 -1.03 0.00 0.00 54.13 52.56 2jqi s LEU 99 Cb 0.05 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.92 2jqi s LEU 99 CO 0.15 0.03 -0.11 -0.76 0.23 0.00 0.00 176.35 175.90 2jqi s LEU 100 N -3.52 2.19 -0.19 1.79 1.43 -0.28 -1.53 118.68 118.57 2jqi s LEU 100 Ca 0.30 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 2jqi s LEU 100 Cb -0.06 -0.39 -0.01 0.00 0.03 0.00 0.00 46.19 45.76 2jqi s LEU 100 CO 0.17 -0.06 -0.07 -0.76 0.23 0.00 0.00 176.35 175.85 2jqi s LEU 101 N -1.22 2.84 -0.23 1.79 1.43 -0.52 -1.39 118.68 121.38 2jqi s LEU 101 Ca -0.03 -0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2jqi s LEU 101 Cb -0.08 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.48 2jqi s LEU 101 CO 0.01 0.05 -0.10 0.21 0.23 0.00 0.00 176.35 176.74 2jqi s ASN 102 N 1.05 4.04 0.26 2.29 2.47 0.39 -2.25 114.94 123.19 2jqi s ASN 102 Ca 0.00 -0.89 -0.29 0.00 0.42 0.00 0.00 52.86 52.10 2jqi s ASN 102 Cb -0.15 -1.60 -0.09 0.00 -1.45 0.00 0.00 41.25 37.96 2jqi s ASN 102 CO -0.01 -0.10 0.96 1.51 -3.72 0.00 0.00 177.10 175.74 2jqi s ASP 103 N 1.28 7.56 -0.02 -4.21 1.47 -1.25 0.19 116.67 121.69 2jqi s ASP 103 Ca -0.00 1.98 0.21 0.00 1.18 0.00 0.00 52.55 55.93 2jqi s ASP 103 Cb -0.16 -2.61 0.37 0.00 -0.34 0.00 0.00 42.92 40.18 2jqi s ASP 103 CO -0.07 0.09 1.14 2.30 0.68 0.00 0.00 175.17 179.32 2jqi n ILE 104 N 1.34 0.08 -2.99 2.11 -5.35 -0.44 0.24 119.36 114.34 2jqi n ILE 104 Ca -0.01 -0.96 -0.27 0.00 -0.27 0.00 0.00 62.75 61.23 2jqi n ILE 104 Cb 0.47 0.94 -0.01 0.00 -1.74 0.00 0.00 39.64 39.30 2jqi n ILE 104 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2jqi s SER 105 N -1.95 6.34 -0.01 7.28 0.15 0.45 -4.28 113.70 121.69 2jqi s SER 105 Ca 0.28 0.79 -0.25 0.00 0.70 0.00 0.00 55.95 57.47 2jqi s SER 105 Cb 0.32 -2.18 -0.19 0.00 -1.71 0.00 0.00 66.02 62.26 2jqi s SER 105 CO -0.13 -0.41 1.29 0.74 1.20 0.00 0.00 173.24 175.93 2jqi h THR 106 N 0.69 1.38 -0.16 6.45 2.02 -1.87 -3.24 112.91 118.17 2jqi h THR 106 Ca -0.48 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 65.53 2jqi h THR 106 Cb 1.20 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 2jqi h THR 106 CO 0.63 0.31 0.00 -0.46 0.37 0.00 0.00 175.52 176.37 2jqi n ASN 107 N -4.79 2.19 0.00 4.18 0.23 -1.26 -5.04 115.26 110.77 2jqi n ASN 107 Ca -0.08 -1.77 0.00 0.00 -0.53 0.00 0.00 54.58 52.20 2jqi n ASN 107 Cb 0.27 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 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 2.46 3.35 4.83 0.00 -1.22 -4.86 105.19 110.99 2jqi n GLY 108 Ca 0.17 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 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 2.43 0.08 2.61 2.01 -1.26 -4.53 115.64 114.23 2jqi s THR 109 Ca 0.00 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.10 2jqi s THR 109 Cb 0.00 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 2jqi s THR 109 CO 0.00 0.58 -0.04 0.26 -0.69 0.00 0.00 174.62 174.73 2jqi s TRP 110 N -0.45 2.90 -0.21 4.92 0.51 0.31 -2.52 118.94 124.40 2jqi s TRP 110 Ca 0.05 -0.06 0.01 0.00 -2.12 0.00 0.00 56.10 53.98 2jqi s TRP 110 Cb -0.12 -1.52 0.05 0.00 -0.81 0.00 0.00 33.47 31.07 2jqi s TRP 110 CO 0.01 0.45 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.63 2jqi s LEU 111 N -2.10 2.47 -1.69 2.99 2.96 0.63 0.15 118.68 124.08 2jqi s LEU 111 Ca 0.23 -0.99 -0.15 0.00 -0.22 0.00 0.00 54.13 53.00 2jqi s LEU 111 Cb -0.11 -1.27 0.14 0.00 0.50 0.00 0.00 46.19 45.44 2jqi s LEU 111 CO 0.15 -0.16 0.57 0.59 -1.32 0.00 0.00 176.35 176.18 2jqi n ASN 112 N 4.65 -1.87 0.00 3.68 3.02 -0.67 0.71 115.26 124.78 2jqi n ASN 112 Ca -0.14 -1.11 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 37.31 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 -1.56 2.30 3.49 7.41 0.00 -1.26 -5.01 105.19 110.57 2jqi n GLY 113 Ca -0.02 0.00 -0.38 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 -0.44 3.64 -0.01 1.61 -1.52 0.22 -5.06 119.66 118.11 2jqi s GLN 114 Ca 0.00 -0.51 -0.30 0.00 -1.95 0.00 0.00 55.36 52.60 2jqi s GLN 114 Cb 0.00 -3.52 -0.05 0.00 -0.22 0.00 0.00 33.01 29.21 2jqi s GLN 114 CO 0.00 -0.27 1.42 0.21 -0.25 0.00 0.00 175.29 176.40 2jqi s LYS 115 N 1.66 4.27 0.37 2.91 2.20 -1.26 -0.27 119.74 129.63 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 -3.61 -0.01 0.00 -1.51 0.00 0.00 37.83 32.54 2jqi s LYS 115 CO 0.07 -0.60 0.55 0.14 -0.36 0.00 0.00 175.35 175.15 2jqi s VAL 116 N 2.57 4.30 0.05 4.02 -7.23 -1.05 -4.93 120.40 118.12 2jqi s VAL 116 Ca 0.64 -0.73 -0.31 0.00 -1.81 0.00 0.00 61.98 59.78 2jqi s VAL 116 Cb -0.31 -3.54 -0.07 0.00 0.56 0.00 0.00 36.38 33.02 2jqi s VAL 116 CO 0.26 -0.30 1.41 -0.70 -0.31 0.00 0.00 175.10 175.46 2jqi s GLU 117 N -4.33 4.30 0.96 4.82 -6.30 -1.26 -4.60 118.70 112.30 2jqi s GLU 117 Ca 0.45 2.02 -0.13 0.00 -2.50 0.00 0.00 54.97 54.81 2jqi s GLU 117 Cb -0.10 -3.45 0.06 0.00 0.00 0.00 0.00 34.13 30.64 2jqi s GLU 117 CO 0.34 -0.53 0.50 1.17 0.02 0.00 0.00 175.26 176.76 2jqi n LYS 118 N 4.84 -0.47 -2.83 4.30 4.81 -1.26 -2.30 118.16 125.24 2jqi n LYS 118 Ca 0.13 -0.09 -0.15 0.00 -0.87 0.00 0.00 58.31 57.32 2jqi n LYS 118 Cb 0.43 -1.93 -0.03 0.00 0.02 0.00 0.00 35.03 33.52 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 -1.87 -1.04 -4.56 3.14 0.23 0.65 -4.85 115.26 106.96 2jqi n ASN 119 Ca 0.07 -0.25 -0.31 0.00 -0.53 0.00 0.00 54.58 53.56 2jqi n ASN 119 Cb 0.54 -0.96 -0.11 0.00 -2.08 0.00 0.00 39.78 37.18 2jqi n ASN 119 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2jqi s SER 120 N -2.05 4.42 -0.06 0.53 0.15 -0.97 -4.90 113.70 110.81 2jqi s SER 120 Ca 0.30 -0.24 -0.21 0.00 0.70 0.00 0.00 55.95 56.50 2jqi s SER 120 Cb -0.17 -0.95 -0.04 0.00 -1.71 0.00 0.00 66.02 63.15 2jqi s SER 120 CO 0.36 0.26 0.62 0.20 1.20 0.00 0.00 173.24 175.88 2jqi s ASN 121 N -1.53 6.92 0.10 5.45 -0.87 -1.26 -3.87 114.94 119.87 2jqi s ASN 121 Ca 0.17 1.10 0.06 0.00 -1.57 0.00 0.00 52.86 52.62 2jqi s ASN 121 Cb -0.11 -2.37 -0.03 0.00 -0.02 0.00 0.00 41.25 38.72 2jqi s ASN 121 CO 0.08 -0.02 -0.15 -1.10 -2.57 0.00 0.00 177.10 173.34 2jqi s GLN 122 N 0.42 0.95 0.21 -0.60 -1.52 -0.95 -4.92 119.66 113.25 2jqi s GLN 122 Ca 0.33 -1.10 -0.30 0.00 -1.95 0.00 0.00 55.36 52.33 2jqi s GLN 122 Cb -0.17 -0.94 -0.08 0.00 -0.22 0.00 0.00 33.01 31.59 2jqi s GLN 122 CO 0.16 0.20 1.19 -1.17 -0.25 0.00 0.00 175.29 175.42 2jqi s LEU 123 N -2.06 4.46 0.69 2.90 2.96 -1.26 -1.44 118.68 124.93 2jqi s LEU 123 Ca 0.04 2.26 -0.16 0.00 -0.22 0.00 0.00 54.13 56.05 2jqi s LEU 123 Cb -0.08 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 43.01 2jqi s LEU 123 CO 0.03 -0.34 1.22 -0.22 -1.32 0.00 0.00 176.35 175.71 2jqi s LEU 124 N -0.49 3.43 0.13 -0.68 2.96 -0.58 -4.82 118.68 118.62 2jqi s LEU 124 Ca 0.51 2.39 0.08 0.00 -0.22 0.00 0.00 54.13 56.90 2jqi s LEU 124 Cb -0.33 -4.59 -0.04 0.00 0.50 0.00 0.00 46.19 41.73 2jqi s LEU 124 CO 0.38 -2.06 -0.19 -0.44 -1.32 0.00 0.00 176.35 172.72 2jqi s SER 125 N -1.86 2.55 -0.10 3.68 0.01 -1.26 -4.97 113.70 111.75 2jqi s SER 125 Ca 0.76 -0.77 -0.30 0.00 1.31 0.00 0.00 55.95 56.96 2jqi s SER 125 Cb -0.30 -0.14 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 2jqi s SER 125 CO 0.42 0.00 1.38 -1.58 0.41 0.00 0.00 173.24 173.87 2jqi s GLN 126 N -2.33 4.24 -1.94 12.44 -0.44 -1.26 -2.63 119.66 127.74 2jqi s GLN 126 Ca 0.10 1.84 0.00 0.00 -2.50 0.00 0.00 55.36 54.81 2jqi s GLN 126 Cb -0.08 -3.77 0.00 0.00 -1.64 0.00 0.00 33.01 27.52 2jqi s GLN 126 CO 0.05 -0.69 0.00 0.41 0.50 0.00 0.00 175.29 175.56 2jqi n GLY 127 N 3.72 0.65 3.27 2.59 0.00 -1.18 -4.93 105.19 109.31 2jqi n GLY 127 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.68 -2.68 -3.78 1.61 2.03 -1.08 -4.46 116.55 106.50 2jqi n ASP 128 Ca -0.22 0.08 -0.13 0.00 0.52 0.00 0.00 54.79 55.04 2jqi n ASP 128 Cb 0.68 -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 -0.70 -1.92 0.00 0.00 177.20 174.58 2jqi s GLU 129 N -3.24 0.15 -0.14 -0.67 2.12 -1.26 0.46 118.70 116.13 2jqi s GLU 129 Ca 0.53 0.31 -0.00 0.00 0.36 0.00 0.00 54.97 56.16 2jqi s GLU 129 Cb -0.14 -0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.22 2jqi s GLU 129 CO 0.68 -0.09 -0.13 0.42 -0.54 0.00 0.00 175.26 175.61 2jqi s ILE 130 N 0.59 3.00 -0.07 -3.70 1.01 0.36 -1.67 121.20 120.71 2jqi s ILE 130 Ca -0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 59.91 2jqi s ILE 130 Cb -0.06 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 2jqi s ILE 130 CO -0.03 0.51 0.07 -0.89 0.00 0.00 0.00 174.94 174.60 2jqi s THR 131 N 0.53 4.80 0.05 2.92 2.01 0.39 0.41 115.64 126.76 2jqi s THR 131 Ca -0.08 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 2jqi s THR 131 Cb -0.16 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.22 2jqi s THR 131 CO 0.04 0.54 -0.01 0.68 -0.69 0.00 0.00 174.62 175.17 2jqi s VAL 132 N -1.02 0.20 0.00 3.82 -7.23 0.22 0.11 120.40 116.51 2jqi s VAL 132 Ca 0.17 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 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 0.06 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.55 2jqi n GLY 133 N 0.29 0.81 3.78 2.32 0.00 -1.26 0.13 105.19 111.26 2jqi n GLY 133 Ca -0.15 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.94 4.39 0.00 1.61 1.01 -1.26 -2.78 120.40 120.43 2jqi s VAL 134 Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.64 2jqi s VAL 134 Cb 0.00 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.27 2jqi s VAL 134 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2jqi n GLY 135 N 1.50 3.36 2.98 4.51 0.00 -1.26 -5.02 105.19 111.25 2jqi n GLY 135 Ca -0.05 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 0.55 1.61 1.01 -1.26 -5.01 120.40 118.70 2jqi s VAL 136 Ca 0.00 -0.58 0.33 0.00 0.00 0.00 0.00 61.98 61.73 2jqi s VAL 136 Cb 0.00 -1.37 0.49 0.00 0.00 0.00 0.00 36.38 35.50 2jqi s VAL 136 CO 0.00 0.38 1.85 1.05 0.00 0.00 0.00 175.10 178.39 2jqi h GLU 137 N 8.08 0.00 -0.33 2.72 -0.00 -1.98 0.71 114.58 123.78 2jqi h GLU 137 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.02 2jqi h GLU 137 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.88 2jqi h GLU 137 CO 0.48 0.00 0.00 -1.13 -0.00 0.00 0.00 179.01 178.36 2jqi n SER 138 N -4.15 2.45 -0.74 3.06 3.41 -1.26 -4.20 113.62 112.19 2jqi n SER 138 Ca 0.19 -1.88 0.06 0.00 -0.26 0.00 0.00 58.87 56.98 2jqi n SER 138 Cb 1.02 -0.22 0.13 0.00 -0.26 0.00 0.00 64.21 64.88 2jqi n SER 138 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2jqi n ASP 139 N 0.84 1.49 -4.68 4.04 9.92 0.25 -5.04 116.55 123.36 2jqi n ASP 139 Ca 0.17 -3.12 -0.35 0.00 -0.53 0.00 0.00 54.79 50.96 2jqi n ASP 139 Cb 0.43 -0.43 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 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 -2.07 4.38 -0.05 0.53 1.01 -1.12 -4.31 121.20 119.57 2jqi s ILE 140 Ca 0.33 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.81 2jqi s ILE 140 Cb 0.33 -2.86 -0.00 0.00 0.01 0.00 0.00 42.46 39.94 2jqi s ILE 140 CO -0.07 0.59 -0.19 -0.76 0.00 0.00 0.00 174.94 174.51 2jqi s LEU 141 N -0.73 1.94 0.07 2.97 1.02 0.36 -4.94 118.68 119.37 2jqi s LEU 141 Ca 0.12 -0.40 0.03 0.00 0.02 0.00 0.00 54.13 53.90 2jqi s LEU 141 Cb -0.12 -1.08 -0.04 0.00 0.02 0.00 0.00 46.19 44.98 2jqi s LEU 141 CO 0.02 0.16 0.05 -0.55 0.02 0.00 0.00 176.35 176.06 2jqi s SER 142 N 0.07 5.36 0.01 2.29 0.15 -1.26 0.73 113.70 121.06 2jqi s SER 142 Ca -0.06 -0.05 0.02 0.00 0.70 0.00 0.00 55.95 56.56 2jqi s SER 142 Cb -0.13 -1.40 -0.01 0.00 -1.71 0.00 0.00 66.02 62.77 2jqi s SER 142 CO 0.03 0.19 -0.06 -0.76 1.20 0.00 0.00 173.24 173.84 2jqi s LEU 143 N -2.28 2.10 -0.04 3.45 1.43 0.17 -3.56 118.68 119.95 2jqi s LEU 143 Ca 0.27 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.18 2jqi s LEU 143 Cb -0.12 -0.22 -0.02 0.00 0.03 0.00 0.00 46.19 45.86 2jqi s LEU 143 CO 0.20 -0.04 -0.25 -0.69 0.23 0.00 0.00 176.35 175.80 2jqi s VAL 144 N -0.59 2.01 -0.15 -1.59 1.01 0.28 0.14 120.40 121.51 2jqi s VAL 144 Ca -0.03 -1.07 -0.05 0.00 0.00 0.00 0.00 61.98 60.83 2jqi s VAL 144 Cb -0.05 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2jqi s VAL 144 CO 0.00 0.57 0.02 -0.63 0.00 0.00 0.00 175.10 175.05 2jqi s ILE 145 N -0.41 4.40 -0.21 2.22 1.01 0.17 0.10 121.20 128.49 2jqi s ILE 145 Ca 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 2jqi s ILE 145 Cb -0.11 -2.94 -0.00 0.00 0.01 0.00 0.00 42.46 39.42 2jqi s ILE 145 CO 0.01 0.50 -0.09 0.12 0.00 0.00 0.00 174.94 175.48 2jqi s PHE 146 N 0.11 2.91 -0.02 3.97 5.36 0.38 -2.99 117.98 127.69 2jqi s PHE 146 Ca 0.02 -1.12 -0.25 0.00 -0.96 0.00 0.00 56.93 54.62 2jqi s PHE 146 Cb -0.13 -2.05 -0.04 0.00 -0.34 0.00 0.00 43.02 40.46 2jqi s PHE 146 CO 0.02 -0.61 0.77 0.42 -1.46 0.00 0.00 175.22 174.35 2jqi s ILE 147 N 1.41 4.93 -0.53 3.12 1.01 -1.26 0.11 121.20 129.98 2jqi s ILE 147 Ca 0.05 1.61 -0.26 0.00 0.00 0.00 0.00 60.65 62.05 2jqi s ILE 147 Cb -0.14 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.25 2jqi s ILE 147 CO -0.06 0.26 1.03 0.20 0.00 0.00 0.00 174.94 176.38 2jqi s ASN 148 N 0.62 6.43 0.57 3.58 -0.87 -1.20 -4.89 114.94 119.18 2jqi s ASN 148 Ca 0.41 -0.04 0.25 0.00 -1.57 0.00 0.00 52.86 51.91 2jqi s ASN 148 Cb -0.19 -2.49 1.63 0.00 -0.02 0.00 0.00 41.25 40.18 2jqi s ASN 148 CO 0.21 -1.27 2.21 -0.78 -2.57 0.00 0.00 177.10 174.90 2jqi h ASP 149 N 9.33 0.00 -0.46 -1.22 1.82 -1.93 -2.08 116.42 121.88 2jqi h ASP 149 Ca -0.25 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.41 2jqi h ASP 149 Cb 1.07 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.05 2jqi h ASP 149 CO 1.11 0.00 0.28 0.50 -1.61 0.00 0.00 179.24 179.52 2jqi h LYS 150 N 0.00 0.55 -0.63 0.28 3.11 -1.92 -0.46 116.57 117.49 2jqi h LYS 150 Ca 0.01 -0.03 0.04 0.00 -2.81 0.00 0.00 60.65 57.86 2jqi h LYS 150 Cb 0.06 -0.12 -0.04 0.00 -1.00 0.00 0.00 32.23 31.13 2jqi h LYS 150 CO -0.00 0.36 0.38 0.35 -2.81 0.00 0.00 179.45 177.73 2jqi h PHE 151 N 0.56 0.70 -0.64 1.91 3.57 -1.57 -1.99 116.94 119.48 2jqi h PHE 151 Ca 0.18 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 2jqi h PHE 151 Cb -0.00 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 2jqi h PHE 151 CO -0.06 0.38 0.09 0.87 -2.23 0.00 0.00 178.31 177.36 2jqi h LYS 152 N 0.73 1.06 -0.69 1.11 1.57 -1.45 -1.95 116.57 116.96 2jqi h LYS 152 Ca 0.26 -0.28 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2jqi h LYS 152 Cb 0.07 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 2jqi h LYS 152 CO -0.13 0.98 0.44 0.37 -0.57 0.00 0.00 179.45 180.54 2jqi h GLN 153 N 0.99 0.85 -0.37 3.15 4.15 -0.47 0.37 115.11 123.78 2jqi h GLN 153 Ca 0.20 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.47 2jqi h GLN 153 Cb 0.44 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 2jqi h GLN 153 CO 0.01 0.56 -0.15 0.00 -1.93 0.00 0.00 178.83 177.33 2jqi h LEU 155 N 0.54 0.72 -0.92 0.00 7.12 -0.98 0.87 115.31 122.66 2jqi h LEU 155 Ca 0.09 -0.34 0.03 0.00 0.13 0.00 0.00 57.88 57.79 2jqi h LEU 155 Cb 0.68 -0.20 -0.05 0.00 -0.53 0.00 0.00 40.66 40.57 2jqi h LEU 155 CO 0.05 0.89 0.60 -0.33 -0.13 0.00 0.00 178.44 179.52 2jqi h GLU 156 N 0.55 1.14 0.14 1.25 5.08 -0.25 -2.82 114.58 119.67 2jqi h GLU 156 Ca 0.11 -0.07 -0.31 0.00 -1.00 0.00 0.00 59.36 58.08 2jqi h GLU 156 Cb 0.54 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2jqi h GLU 156 CO 0.03 0.76 -1.54 1.96 -1.00 0.00 0.00 179.01 179.22 2jqi h GLN 157 N 1.18 0.30 -6.29 2.33 4.20 -1.31 -3.50 115.11 112.01 2jqi h GLN 157 Ca 0.36 -0.51 -0.14 0.00 0.06 0.00 0.00 58.65 58.42 2jqi h GLN 157 Cb -0.03 0.19 0.01 0.00 0.30 0.00 0.00 27.48 27.95 2jqi h GLN 157 CO -0.11 1.18 -1.05 0.27 -0.67 0.00 0.00 178.83 178.45 2jqi n ASN 158 N -3.50 -6.37 -4.67 1.46 0.23 0.30 -4.84 115.26 97.87 2jqi n ASN 158 Ca -0.17 0.29 -0.43 0.00 -0.53 0.00 0.00 54.58 53.74 2jqi n ASN 158 Cb 1.05 -2.06 -0.02 0.00 -2.08 0.00 0.00 39.78 36.67 2jqi n ASN 158 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2jqi s LYS 159 N -1.63 4.30 0.14 -3.83 2.36 -1.26 -4.99 119.74 114.82 2jqi s LYS 159 Ca 0.15 1.61 -0.30 0.00 -2.55 0.00 0.00 55.97 54.88 2jqi s LYS 159 Cb -0.02 -3.65 -0.08 0.00 -1.05 0.00 0.00 37.83 33.04 2jqi s LYS 159 CO 0.40 -0.56 1.28 0.14 1.55 0.00 0.00 175.35 178.16 2jqi s VAL 160 N 2.83 3.52 -0.10 4.02 -7.23 -1.26 -4.92 120.40 117.26 2jqi s VAL 160 Ca 0.54 1.17 0.06 0.00 -1.81 0.00 0.00 61.98 61.94 2jqi s VAL 160 Cb -0.22 -3.75 -0.11 0.00 0.56 0.00 0.00 36.38 32.87 2jqi s VAL 160 CO 0.17 0.13 -0.01 -0.67 -0.31 0.00 0.00 175.10 174.41 2jqi n ASP 161 N 3.28 2.79 -4.69 4.85 2.03 -1.26 -4.97 116.55 118.57 2jqi n ASP 161 Ca 0.08 -0.02 -0.38 0.00 0.52 0.00 0.00 54.79 54.99 2jqi n ASP 161 Cb 0.44 0.45 -0.07 0.00 -0.72 0.00 0.00 41.12 41.22 2jqi n ASP 161 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2jqi s ARG 162 N -2.23 4.23 -0.27 -0.67 3.52 -1.26 -5.06 118.95 117.20 2jqi s ARG 162 Ca -0.08 0.23 -0.12 0.00 -0.13 0.00 0.00 55.73 55.63 2jqi s ARG 162 Cb 0.03 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 2jqi s ARG 162 CO 0.35 0.06 0.23 0.42 -0.81 0.00 0.00 175.30 175.56 2jqi s ILE 163 N 0.99 5.28 0.00 4.11 -1.09 -1.26 -5.26 121.20 123.97 2jqi s ILE 163 Ca 0.20 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.89 2jqi s ILE 163 Cb -0.14 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 2jqi s ILE 163 CO 0.07 0.23 0.00 0.54 -1.23 0.00 0.00 174.94 174.56