#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqi n THR 15 N 0.00 0.00 -0.05 0.00 5.66 -1.26 -4.78 114.28 113.85 2jqi n THR 15 Ca 0.00 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 2jqi n THR 15 Cb 0.00 -0.40 -0.07 0.00 -1.55 0.00 0.00 70.33 68.31 2jqi n THR 15 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 2jqi h GLN 16 N 0.00 0.42 -0.42 1.09 4.15 -2.06 -2.80 115.11 115.48 2jqi h GLN 16 Ca 0.00 -0.25 0.02 0.00 0.77 0.00 0.00 58.65 59.19 2jqi h GLN 16 Cb 0.02 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 2jqi h GLN 16 CO 0.00 0.84 0.25 0.00 -1.93 0.00 0.00 178.83 177.99 2jqi h ARG 17 N 0.03 0.49 -0.53 1.69 2.47 -2.00 -1.99 114.38 114.54 2jqi h ARG 17 Ca 0.01 -0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.72 2jqi h ARG 17 Cb 0.81 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.99 2jqi h ARG 17 CO 0.05 0.32 0.35 0.74 0.56 0.00 0.00 179.97 182.00 2jqi h PHE 18 N 0.51 0.64 -0.74 3.04 -1.00 -1.86 -1.45 116.94 116.07 2jqi h PHE 18 Ca 0.17 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.94 2jqi h PHE 18 Cb 0.01 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.32 2jqi h PHE 18 CO -0.07 0.39 0.36 1.25 -1.61 0.00 0.00 178.31 178.63 2jqi h LEU 19 N 0.68 0.96 -0.53 1.54 6.46 -1.09 -2.67 115.31 120.66 2jqi h LEU 19 Ca 0.20 -0.13 -0.16 0.00 -0.12 0.00 0.00 57.88 57.67 2jqi h LEU 19 Cb -0.02 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.66 2jqi h LEU 19 CO -0.05 0.82 -0.61 0.40 -0.62 0.00 0.00 178.44 178.39 2jqi h ILE 20 N 1.03 1.35 -0.88 4.05 1.08 -1.04 -3.09 117.51 120.01 2jqi h ILE 20 Ca 0.25 -1.92 0.07 0.00 -0.39 0.00 0.00 64.86 62.88 2jqi h ILE 20 Cb 0.11 1.91 -0.06 0.00 -3.07 0.00 0.00 36.82 35.71 2jqi h ILE 20 CO -0.03 0.58 0.57 -0.33 -0.69 0.00 0.00 178.15 178.25 2jqi h GLU 21 N 0.33 0.94 0.00 2.37 5.08 -0.96 0.14 114.58 122.47 2jqi h GLU 21 Ca -0.01 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2jqi h GLU 21 Cb 1.15 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 2jqi h GLU 21 CO 0.11 0.62 -0.16 0.87 -1.00 0.00 0.00 179.01 179.45 2jqi h LYS 22 N 0.96 0.00 -0.35 2.33 1.57 -1.42 -2.36 116.57 117.30 2jqi h LYS 22 Ca 0.38 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.21 2jqi h LYS 22 Cb 0.25 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 2jqi h LYS 22 CO -0.15 0.16 0.11 0.35 -0.57 0.00 0.00 179.45 179.36 2jqi h PHE 23 N 0.00 0.20 0.04 -1.35 3.04 -0.73 -2.66 116.94 115.48 2jqi h PHE 23 Ca -0.00 0.02 -0.24 0.00 3.98 0.00 0.00 57.97 61.73 2jqi h PHE 23 Cb 0.49 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.94 2jqi h PHE 23 CO 0.00 0.08 -1.15 0.77 -2.02 0.00 0.00 178.31 175.99 2jqi h SER 24 N 0.26 0.13 -4.84 0.41 0.02 -1.56 -3.49 113.55 104.48 2jqi h SER 24 Ca 0.16 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2jqi h SER 24 Cb 0.14 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2jqi h SER 24 CO -0.17 1.11 -0.11 1.67 -1.14 0.00 0.00 176.83 178.19 2jqi n GLN 25 N -3.38 -1.27 -2.27 3.45 -0.06 -0.90 -4.92 117.38 108.04 2jqi n GLN 25 Ca -0.04 1.42 -0.43 0.00 -2.00 0.00 0.00 57.00 55.95 2jqi n GLN 25 Cb 0.98 -4.83 -0.02 0.00 -4.06 0.00 0.00 30.24 22.30 2jqi n GLN 25 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 2jqi s GLU 26 N -2.79 4.23 0.01 3.69 -6.30 -1.26 -4.97 118.70 111.31 2jqi s GLU 26 Ca 0.05 1.87 -0.30 0.00 -2.50 0.00 0.00 54.97 54.09 2jqi s GLU 26 Cb -0.02 -3.80 -0.06 0.00 0.00 0.00 0.00 34.13 30.26 2jqi s GLU 26 CO 0.59 -0.72 1.44 -1.14 0.02 0.00 0.00 175.26 175.45 2jqi s GLN 27 N 3.45 4.27 0.17 4.30 0.74 -1.26 -4.99 119.66 126.34 2jqi s GLN 27 Ca 0.62 2.02 -0.28 0.00 0.05 0.00 0.00 55.36 57.77 2jqi s GLN 27 Cb -0.27 -3.58 -0.08 0.00 1.10 0.00 0.00 33.01 30.18 2jqi s GLN 27 CO 0.21 -0.60 0.87 0.42 -0.55 0.00 0.00 175.29 175.64 2jqi s ILE 28 N 2.47 4.33 0.00 -2.34 -1.09 -1.26 -4.89 121.20 118.42 2jqi s ILE 28 Ca 0.65 1.90 0.00 0.00 -2.23 0.00 0.00 60.65 60.97 2jqi s ILE 28 Cb -0.32 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.32 2jqi s ILE 28 CO 0.27 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 175.05 2jqi n GLY 29 N 1.78 1.24 0.12 6.18 0.00 -1.26 -5.00 105.19 108.24 2jqi n GLY 29 Ca -0.03 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 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 0.21 0.00 1.61 4.22 -2.02 -3.44 114.58 115.16 2jqi h GLU 30 Ca 0.00 -0.37 0.00 0.00 0.08 0.00 0.00 59.36 59.07 2jqi h GLU 30 Cb 0.00 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2jqi h GLU 30 CO 0.00 1.03 0.00 0.09 -2.18 0.00 0.00 179.01 177.95 2jqi n ASN 31 N -3.39 0.00 -4.73 1.04 3.02 -1.26 -5.05 115.26 104.89 2jqi n ASN 31 Ca -0.22 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.92 2jqi n ASN 31 Cb 1.05 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 40.18 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 4.01 -0.12 2.41 -1.09 -1.26 -1.04 121.20 124.11 2jqi s ILE 32 Ca 0.00 1.63 -0.09 0.00 -2.23 0.00 0.00 60.65 59.97 2jqi s ILE 32 Cb 0.00 -4.04 -0.03 0.00 -1.58 0.00 0.00 42.46 36.81 2jqi s ILE 32 CO 0.00 0.23 -0.17 0.52 -1.23 0.00 0.00 174.94 174.30 2jqi n VAL 33 N 2.86 1.18 -3.77 2.92 0.31 0.29 -4.32 118.33 117.80 2jqi n VAL 33 Ca 0.04 0.26 -0.13 0.00 -0.01 0.00 0.00 64.34 64.50 2jqi n VAL 33 Cb 0.47 -2.24 -0.09 0.00 -0.91 0.00 0.00 33.84 31.07 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 -1.36 2.68 -0.26 0.00 3.52 0.32 -1.16 118.95 122.70 2jqi s ARG 35 Ca -0.14 -0.69 -0.11 0.00 -0.13 0.00 0.00 55.73 54.67 2jqi s ARG 35 Cb -0.05 -2.44 -0.05 0.00 -1.56 0.00 0.00 34.95 30.85 2jqi s ARG 35 CO 0.04 0.55 0.17 0.54 -0.81 0.00 0.00 175.30 175.79 2jqi s VAL 36 N -0.53 5.34 -0.11 7.11 0.11 -0.95 0.12 120.40 131.48 2jqi s VAL 36 Ca 0.07 0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 59.29 2jqi s VAL 36 Cb -0.12 -3.51 0.03 0.00 -1.53 0.00 0.00 36.38 31.25 2jqi s VAL 36 CO 0.01 0.30 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.40 2jqi s ILE 37 N 1.35 0.95 0.28 7.04 1.01 0.26 -2.14 121.20 129.95 2jqi s ILE 37 Ca 0.07 -0.27 -0.28 0.00 0.00 0.00 0.00 60.65 60.17 2jqi s ILE 37 Cb -0.15 -1.01 -0.09 0.00 0.01 0.00 0.00 42.46 41.23 2jqi s ILE 37 CO 0.07 0.32 0.94 0.00 0.00 0.00 0.00 174.94 176.28 2jqi n THR 39 N 1.05 0.08 1.54 0.00 -2.24 -1.24 -4.50 114.28 108.97 2jqi n THR 39 Ca -0.00 -0.23 0.14 0.00 -2.27 0.00 0.00 64.05 61.69 2jqi n THR 39 Cb 0.48 0.15 0.65 0.00 -2.10 0.00 0.00 70.33 69.51 2jqi n THR 39 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jqi n THR 40 N -1.89 0.00 -2.01 4.28 -2.24 -1.25 -4.98 114.28 106.18 2jqi n THR 40 Ca -0.03 -0.09 -0.01 0.00 -2.27 0.00 0.00 64.05 61.64 2jqi n THR 40 Cb 0.31 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 1.20 -2.67 0.13 3.38 0.00 -1.26 -5.02 105.19 100.95 2jqi n GLY 41 Ca 0.17 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2jqi n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jqi n GLN 42 N 0.07 0.00 -5.10 1.61 10.64 -1.26 -5.13 117.38 118.21 2jqi n GLN 42 Ca 0.02 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.90 2jqi n GLN 42 Cb 0.06 -0.01 -0.16 0.00 -0.86 0.00 0.00 30.24 29.27 2jqi n GLN 42 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 2jqi s ILE 43 N -1.07 1.75 0.39 -0.39 1.01 -1.26 -4.44 121.20 117.19 2jqi s ILE 43 Ca 0.00 -0.95 -0.24 0.00 0.00 0.00 0.00 60.65 59.46 2jqi s ILE 43 Cb 0.00 -1.45 -0.09 0.00 0.01 0.00 0.00 42.46 40.92 2jqi s ILE 43 CO 0.00 0.50 1.02 -2.16 0.00 0.00 0.00 174.94 174.29 2jqi s PRO 44 N -0.52 4.25 0.59 2.79 0.04 -1.26 -4.21 135.00 136.68 2jqi s PRO 44 Ca 0.08 1.43 -0.19 0.00 0.04 0.00 0.00 61.00 62.36 2jqi s PRO 44 Cb -0.09 -2.55 -0.05 0.00 0.04 0.00 0.00 34.50 31.86 2jqi s PRO 44 CO -0.01 -0.04 1.04 -0.89 0.04 0.00 0.00 177.00 177.14 2jqi n ILE 45 N -0.02 3.77 -3.99 0.56 5.41 -1.26 -4.86 119.36 118.97 2jqi n ILE 45 Ca 0.05 -0.50 -0.09 0.00 1.00 0.00 0.00 62.75 63.21 2jqi n ILE 45 Cb 0.50 -1.23 -0.08 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 -2.79 0.86 -0.19 0.38 3.52 -0.91 -5.03 118.95 114.80 2jqi s ARG 46 Ca 0.75 -1.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.20 2jqi s ARG 46 Cb -0.42 0.30 0.01 0.00 -1.56 0.00 0.00 34.95 33.28 2jqi s ARG 46 CO 0.47 -0.26 -0.17 -0.51 -0.81 0.00 0.00 175.30 174.03 2jqi s ASP 47 N -2.93 3.38 -0.08 -2.12 1.11 -1.26 -2.25 116.67 112.51 2jqi s ASP 47 Ca 0.11 -0.60 -0.12 0.00 0.18 0.00 0.00 52.55 52.12 2jqi s ASP 47 Cb 0.06 -1.53 -0.05 0.00 1.07 0.00 0.00 42.92 42.47 2jqi s ASP 47 CO -0.06 -0.01 0.29 -0.76 1.18 0.00 0.00 175.17 175.81 2jqi s LEU 48 N 1.33 4.38 0.07 1.23 1.43 -0.31 -5.02 118.68 121.79 2jqi s LEU 48 Ca 0.05 0.68 -0.06 0.00 -1.03 0.00 0.00 54.13 53.77 2jqi s LEU 48 Cb -0.13 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 2jqi s LEU 48 CO -0.11 0.29 0.11 -0.94 0.23 0.00 0.00 176.35 175.93 2jqi s SER 49 N -0.64 0.22 -0.01 2.29 1.04 -1.26 -0.55 113.70 114.79 2jqi s SER 49 Ca 0.19 -0.70 -0.02 0.00 0.48 0.00 0.00 55.95 55.89 2jqi s SER 49 Cb -0.14 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2jqi s SER 49 CO 0.08 -0.64 0.05 0.00 0.98 0.00 0.00 173.24 173.70 2jqi s ALA 50 N -3.56 -0.11 -0.27 5.32 0.00 -0.21 -4.80 121.76 118.14 2jqi s ALA 50 Ca 0.03 0.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.71 2jqi s ALA 50 Cb 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.12 2jqi s ALA 50 CO -0.09 -0.06 1.33 -0.51 0.00 0.00 0.00 175.76 176.43 2jqi s ASP 51 N -0.33 6.68 0.14 0.00 1.11 -1.26 -4.68 116.67 118.33 2jqi s ASP 51 Ca -0.04 1.33 -0.15 0.00 0.18 0.00 0.00 52.55 53.88 2jqi s ASP 51 Cb -0.03 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.43 2jqi s ASP 51 CO 0.00 -1.05 1.65 0.40 1.18 0.00 0.00 175.17 177.35 2jqi h ILE 52 N 5.91 1.23 -0.91 0.77 2.04 -1.97 -1.46 117.51 123.12 2jqi h ILE 52 Ca -0.27 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2jqi h ILE 52 Cb 1.11 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 2jqi h ILE 52 CO 1.02 0.28 0.57 0.28 0.00 0.00 0.00 178.15 180.30 2jqi h SER 53 N 0.56 1.07 -0.20 1.72 0.02 -2.00 -1.58 113.55 113.14 2jqi h SER 53 Ca 0.14 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.91 2jqi h SER 53 Cb 0.30 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2jqi h SER 53 CO -0.00 0.80 -0.30 1.56 -1.14 0.00 0.00 176.83 177.75 2jqi h GLN 54 N 1.24 0.69 -0.58 3.45 1.08 -1.94 -2.52 115.11 116.54 2jqi h GLN 54 Ca 0.33 -0.31 -0.06 0.00 -1.45 0.00 0.00 58.65 57.16 2jqi h GLN 54 Cb -0.09 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 2jqi h GLN 54 CO -0.07 0.91 0.12 0.28 -0.95 0.00 0.00 178.83 179.12 2jqi h VAL 55 N 0.59 1.24 -0.06 -0.54 2.07 -0.62 -0.36 116.25 118.57 2jqi h VAL 55 Ca 0.07 -0.90 -0.12 0.00 0.82 0.00 0.00 66.70 66.57 2jqi h VAL 55 Cb 0.80 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2jqi h VAL 55 CO 0.07 0.33 -0.52 -0.07 0.02 0.00 0.00 177.57 177.40 2jqi h LEU 56 N 0.87 0.18 0.01 2.57 3.38 -1.15 -3.25 115.31 117.93 2jqi h LEU 56 Ca 0.18 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jqi h LEU 56 Cb 0.35 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2jqi h LEU 56 CO 0.00 0.67 -0.01 0.11 0.09 0.00 0.00 178.44 179.30 2jqi h LYS 57 N 0.13 -0.02 -6.26 1.13 1.57 -1.02 -3.43 116.57 108.67 2jqi h LYS 57 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2jqi h LYS 57 Cb 0.96 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 2jqi h LYS 57 CO 0.08 0.69 1.09 -2.00 -0.57 0.00 0.00 179.45 178.74 2jqi s GLU 58 N -3.23 3.95 -0.93 3.15 2.56 -0.18 -4.95 118.70 119.07 2jqi s GLU 58 Ca -0.17 1.81 -0.15 0.00 0.00 0.00 0.00 54.97 56.46 2jqi s GLU 58 Cb -0.01 -3.99 0.19 0.00 2.00 0.00 0.00 34.13 32.32 2jqi s GLU 58 CO 0.65 -1.11 0.99 0.15 -0.56 0.00 0.00 175.26 175.39 2jqi s LYS 59 N 4.38 3.70 0.36 4.30 -0.14 -1.26 -4.85 119.74 126.22 2jqi s LYS 59 Ca 0.70 -2.29 -0.17 0.00 -1.36 0.00 0.00 55.97 52.86 2jqi s LYS 59 Cb -0.27 -4.68 0.04 0.00 -1.68 0.00 0.00 37.83 31.25 2jqi s LYS 59 CO 0.28 -1.51 0.76 0.50 -0.76 0.00 0.00 175.35 174.62 2jqi s ARG 60 N 1.09 2.12 -0.07 1.68 3.52 -1.26 -5.08 118.95 120.93 2jqi s ARG 60 Ca 0.27 -1.34 -0.13 0.00 -0.13 0.00 0.00 55.73 54.40 2jqi s ARG 60 Cb -0.07 0.62 -0.09 0.00 -1.56 0.00 0.00 34.95 33.84 2jqi s ARG 60 CO -0.08 -0.98 0.49 1.03 -0.81 0.00 0.00 175.30 174.94 2jqi h SER 61 N 2.01 -0.19 -3.55 -2.12 0.87 -2.00 -3.45 113.55 105.11 2jqi h SER 61 Ca -0.29 -0.18 -0.52 0.00 -1.23 0.00 0.00 61.79 59.57 2jqi h SER 61 Cb 1.25 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.23 2jqi h SER 61 CO 0.36 0.35 -0.03 -0.51 -0.53 0.00 0.00 176.83 176.47 2jqi s ILE 62 N -2.64 4.83 0.05 2.23 1.10 -1.26 -3.98 121.20 121.53 2jqi s ILE 62 Ca -0.07 0.67 0.00 0.00 -0.51 0.00 0.00 60.65 60.74 2jqi s ILE 62 Cb 0.00 -3.62 0.00 0.00 0.15 0.00 0.00 42.46 38.99 2jqi s ILE 62 CO 0.26 -0.10 0.00 0.29 -2.11 0.00 0.00 174.94 173.28 2jqi n LYS 63 N -0.19 0.00 -3.72 3.50 4.76 -1.12 -5.03 118.16 116.37 2jqi n LYS 63 Ca 0.01 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.29 2jqi n LYS 63 Cb 0.53 -0.11 -0.17 0.00 -1.84 0.00 0.00 35.03 33.44 2jqi n LYS 63 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2jqi s LYS 64 N -1.32 -0.03 -0.02 1.97 2.20 -1.17 -5.01 119.74 116.35 2jqi s LYS 64 Ca 0.00 0.31 0.07 0.00 -0.36 0.00 0.00 55.97 55.98 2jqi s LYS 64 Cb 0.00 -0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 35.97 2jqi s LYS 64 CO 0.00 -0.24 -0.22 0.08 -0.36 0.00 0.00 175.35 174.61 2jqi s VAL 65 N 1.59 1.73 -0.12 4.02 1.01 -1.26 -0.83 120.40 126.54 2jqi s VAL 65 Ca -0.03 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 2jqi s VAL 65 Cb -0.12 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2jqi s VAL 65 CO -0.04 0.49 0.12 0.26 0.00 0.00 0.00 175.10 175.94 2jqi s TRP 66 N -0.47 3.55 -0.20 5.22 0.51 0.49 -4.88 118.94 123.16 2jqi s TRP 66 Ca 0.07 0.49 -0.05 0.00 -2.12 0.00 0.00 56.10 54.49 2jqi s TRP 66 Cb -0.09 -1.92 -0.03 0.00 -0.81 0.00 0.00 33.47 30.62 2jqi s TRP 66 CO -0.00 0.71 0.00 0.99 -0.51 0.00 0.00 176.95 178.13 2jqi s THR 67 N -1.00 4.01 0.04 2.01 2.01 -1.26 0.46 115.64 121.90 2jqi s THR 67 Ca 0.15 -0.30 0.05 0.00 0.31 0.00 0.00 61.69 61.90 2jqi s THR 67 Cb -0.12 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 2jqi s THR 67 CO 0.04 0.43 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.93 2jqi s PHE 68 N 0.92 2.74 -4.27 4.92 0.40 0.59 0.14 117.98 123.43 2jqi s PHE 68 Ca 0.01 -0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 2jqi s PHE 68 Cb -0.14 -1.52 0.00 0.00 0.51 0.00 0.00 43.02 41.86 2jqi s PHE 68 CO 0.02 0.34 0.00 0.41 0.70 0.00 0.00 175.22 176.69 2jqi n GLY 69 N 1.40 -1.83 0.00 4.36 0.00 -1.10 0.12 105.19 108.15 2jqi n GLY 69 Ca -0.15 -1.21 0.14 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 -0.30 0.74 -2.98 1.61 1.74 0.26 -2.95 116.66 114.78 2jqi n ARG 70 Ca 0.00 0.01 -0.40 0.00 -0.77 0.00 0.00 57.85 56.69 2jqi n ARG 70 Cb 0.00 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 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 -2.16 7.20 0.03 0.55 2.47 0.22 -4.86 114.94 118.39 2jqi s ASN 71 Ca 0.37 1.43 0.13 0.00 0.42 0.00 0.00 52.86 55.21 2jqi s ASN 71 Cb 0.19 -2.47 0.56 0.00 -1.45 0.00 0.00 41.25 38.08 2jqi s ASN 71 CO 0.34 0.00 1.41 -2.65 -3.72 0.00 0.00 177.10 172.49 2jqi n PRO 72 N 2.88 0.02 0.06 0.43 -0.02 -1.26 -2.10 135.00 135.01 2jqi n PRO 72 Ca -0.02 0.32 -0.22 0.00 -2.02 0.00 0.00 63.50 61.56 2jqi n PRO 72 Cb 0.50 -1.55 -0.15 0.00 -0.02 0.00 0.00 33.50 32.29 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 2.38 0.02 -1.19 3.55 0.00 -1.93 -3.47 119.26 118.61 2jqi h ALA 73 Ca 0.00 -0.92 -0.66 0.00 0.00 0.00 0.00 54.91 53.34 2jqi h ALA 73 Cb 0.21 0.29 0.11 0.00 0.00 0.00 0.00 17.79 18.40 2jqi h ALA 73 CO 0.00 0.67 -0.44 0.00 0.00 0.00 0.00 179.25 179.48 2jqi h ASP 75 N 1.13 0.00 -3.32 0.00 3.32 0.94 -3.38 116.42 115.11 2jqi h ASP 75 Ca -0.30 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.23 2jqi h ASP 75 Cb 1.42 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.63 2jqi h ASP 75 CO 0.57 0.00 -0.81 -0.47 -1.72 0.00 0.00 179.24 176.81 2jqi s TYR 76 N -3.90 1.49 -0.35 4.55 5.04 -0.40 -4.92 117.35 118.86 2jqi s TYR 76 Ca -0.03 -0.64 -0.12 0.00 -2.44 0.00 0.00 57.07 53.84 2jqi s TYR 76 Cb 0.09 -1.15 0.00 0.00 0.35 0.00 0.00 41.96 41.25 2jqi s TYR 76 CO 0.27 -0.38 0.22 -1.58 -1.34 0.00 0.00 175.55 172.74 2jqi s HIS 77 N 1.08 3.22 0.49 4.97 2.46 -1.26 -2.69 115.29 123.56 2jqi s HIS 77 Ca -0.07 -0.58 0.04 0.00 0.47 0.00 0.00 55.06 54.92 2jqi s HIS 77 Cb -0.14 -2.45 -0.02 0.00 -0.13 0.00 0.00 32.58 29.83 2jqi s HIS 77 CO -0.01 -0.51 0.12 -0.48 -2.47 0.00 0.00 174.74 171.40 2jqi s LEU 78 N 1.64 2.62 1.08 8.88 0.05 -1.15 -4.81 118.68 126.98 2jqi s LEU 78 Ca 0.04 -1.42 -0.15 0.00 0.05 0.00 0.00 54.13 52.66 2jqi s LEU 78 Cb -0.18 -0.99 0.15 0.00 -2.05 0.00 0.00 46.19 43.13 2jqi s LEU 78 CO 0.08 -0.80 0.54 0.61 -0.55 0.00 0.00 176.35 176.23 2jqi n GLY 79 N -1.33 -1.98 3.40 -3.48 0.00 -1.26 -4.68 105.19 95.86 2jqi n GLY 79 Ca -0.10 -0.89 -0.45 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.15 6.58 -0.22 1.61 2.20 -1.26 -4.63 114.94 117.07 2jqi s ASN 80 Ca 0.61 -2.11 -0.04 0.00 -0.94 0.00 0.00 52.86 50.38 2jqi s ASN 80 Cb -0.19 -2.32 -0.01 0.00 -2.00 0.00 0.00 41.25 36.73 2jqi s ASN 80 CO 0.65 -0.92 -0.05 -0.63 -2.94 0.00 0.00 177.10 173.21 2jqi s ILE 81 N 1.91 3.36 0.60 0.54 1.09 -1.26 -4.98 121.20 122.46 2jqi s ILE 81 Ca 0.24 -0.50 0.29 0.00 -1.10 0.00 0.00 60.65 59.58 2jqi s ILE 81 Cb -0.10 -2.53 0.36 0.00 -1.06 0.00 0.00 42.46 39.13 2jqi s ILE 81 CO -0.06 0.43 2.01 0.77 -0.10 0.00 0.00 174.94 177.99 2jqi h SER 82 N 8.06 0.00 0.74 3.58 4.64 -2.00 0.26 113.55 128.83 2jqi h SER 82 Ca -0.41 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.77 2jqi h SER 82 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 2jqi h SER 82 CO 0.60 0.00 -0.68 0.03 -0.87 0.00 0.00 176.83 175.91 2jqi h ARG 83 N 0.00 0.00 -6.42 4.77 2.47 -1.93 -3.44 114.38 109.82 2jqi h ARG 83 Ca 0.12 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.31 2jqi h ARG 83 Cb 0.76 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.06 2jqi h ARG 83 CO -0.00 0.68 -0.16 -0.51 0.56 0.00 0.00 179.97 180.54 2jqi s LEU 84 N -7.34 4.13 0.38 3.04 1.43 0.90 -4.53 118.68 116.68 2jqi s LEU 84 Ca -0.01 0.77 0.03 0.00 -1.03 0.00 0.00 54.13 53.89 2jqi s LEU 84 Cb 0.12 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.77 2jqi s LEU 84 CO 0.77 -0.11 0.56 -0.94 0.23 0.00 0.00 176.35 176.85 2jqi s SER 85 N -2.75 6.00 0.23 2.29 1.04 -1.26 -4.77 113.70 114.48 2jqi s SER 85 Ca 0.45 0.15 -0.16 0.00 0.48 0.00 0.00 55.95 56.86 2jqi s SER 85 Cb -0.11 -1.56 0.25 0.00 0.10 0.00 0.00 66.02 64.70 2jqi s SER 85 CO 0.26 -0.48 1.56 0.78 0.98 0.00 0.00 173.24 176.34 2jqi h ASN 86 N 0.69 -1.25 -3.64 7.02 2.35 -1.93 -2.47 115.58 116.35 2jqi h ASN 86 Ca -0.47 0.29 -0.64 0.00 -0.55 0.00 0.00 56.30 54.92 2jqi h ASN 86 Cb 1.25 0.68 -0.40 0.00 0.05 0.00 0.00 38.32 39.89 2jqi h ASN 86 CO 0.57 -0.30 -0.52 -0.54 -1.65 0.00 0.00 177.43 174.99 2jqi s LYS 87 N -6.03 2.40 0.12 0.81 1.02 -1.26 0.92 119.74 117.73 2jqi s LYS 87 Ca -0.14 -3.04 -0.16 0.00 0.02 0.00 0.00 55.97 52.64 2jqi s LYS 87 Cb 0.20 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 34.02 2jqi s LYS 87 CO 0.72 -1.22 1.65 1.25 -0.92 0.00 0.00 175.35 176.83 2jqi h HIS 88 N 5.95 0.59 -3.50 3.18 2.76 0.14 -3.35 115.15 120.92 2jqi h HIS 88 Ca 0.06 -0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 2jqi h HIS 88 Cb 0.82 -0.17 -0.12 0.00 1.55 0.00 0.00 27.41 29.49 2jqi h HIS 88 CO 0.64 0.56 -0.10 -0.59 -1.30 0.00 0.00 177.93 177.14 2jqi s PHE 89 N -5.42 -0.00 0.07 5.26 -0.71 -0.41 0.18 117.98 116.96 2jqi s PHE 89 Ca -0.13 -0.34 0.02 0.00 -1.04 0.00 0.00 56.93 55.44 2jqi s PHE 89 Cb 0.10 0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 42.09 2jqi s PHE 89 CO 0.75 -0.79 -0.08 -0.65 -1.34 0.00 0.00 175.22 173.12 2jqi s GLN 90 N -3.88 0.71 -0.07 1.99 -0.21 0.53 0.22 119.66 118.95 2jqi s GLN 90 Ca 0.09 -1.06 0.04 0.00 0.02 0.00 0.00 55.36 54.45 2jqi s GLN 90 Cb 0.01 -0.31 0.00 0.00 1.00 0.00 0.00 33.01 33.71 2jqi s GLN 90 CO -0.05 0.03 -0.20 0.42 -2.12 0.00 0.00 175.29 173.37 2jqi s ILE 91 N -2.46 1.68 0.08 1.08 1.01 0.17 0.14 121.20 122.89 2jqi s ILE 91 Ca 0.02 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 59.91 2jqi s ILE 91 Cb -0.03 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 2jqi s ILE 91 CO -0.02 0.47 -0.13 -1.48 0.00 0.00 0.00 174.94 173.79 2jqi s LEU 92 N 0.24 2.90 -0.11 2.97 2.34 0.12 0.19 118.68 127.33 2jqi s LEU 92 Ca -0.11 -0.39 0.02 0.00 0.06 0.00 0.00 54.13 53.71 2jqi s LEU 92 Cb -0.15 -1.71 0.01 0.00 -0.56 0.00 0.00 46.19 43.78 2jqi s LEU 92 CO 0.05 0.21 -0.15 -0.22 -1.06 0.00 0.00 176.35 175.18 2jqi s LEU 93 N -1.91 1.73 0.00 1.48 1.98 -0.01 -0.86 118.68 121.09 2jqi s LEU 93 Ca 0.19 -0.43 0.00 0.00 -2.89 0.00 0.00 54.13 50.99 2jqi s LEU 93 Cb -0.11 -1.10 0.00 0.00 0.66 0.00 0.00 46.19 45.64 2jqi s LEU 93 CO 0.10 0.02 0.00 0.61 -1.89 0.00 0.00 176.35 175.19 2jqi n GLY 94 N 4.19 1.87 7.00 7.98 0.00 -1.24 -2.78 105.19 122.22 2jqi n GLY 94 Ca -0.19 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.26 1.61 2.13 -1.26 -3.67 120.64 116.19 2jqi n GLU 95 Ca 0.00 0.00 -0.46 0.00 0.66 0.00 0.00 57.16 57.36 2jqi n GLU 95 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2jqi n GLU 95 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2jqi s ASP 96 N -4.00 6.23 -1.07 4.31 1.11 -1.26 -4.51 116.67 117.48 2jqi s ASP 96 Ca 0.00 -1.76 -0.01 0.00 0.18 0.00 0.00 52.55 50.96 2jqi s ASP 96 Cb 0.00 -2.24 -0.01 0.00 1.07 0.00 0.00 42.92 41.75 2jqi s ASP 96 CO 0.00 -0.91 0.90 0.61 1.18 0.00 0.00 175.17 176.95 2jqi n GLY 97 N 5.18 -0.37 3.28 0.21 0.00 -1.26 -5.03 105.19 107.20 2jqi n GLY 97 Ca -0.11 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.13 0.06 0.06 1.61 0.01 -1.24 -5.04 114.94 106.28 2jqi s ASN 98 Ca 0.05 -0.75 0.03 0.00 -0.71 0.00 0.00 52.86 51.47 2jqi s ASN 98 Cb -0.01 0.39 -0.03 0.00 0.41 0.00 0.00 41.25 42.02 2jqi s ASN 98 CO 0.66 -0.82 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.59 2jqi s LEU 99 N -2.91 2.31 0.03 0.60 1.02 -1.26 -3.64 118.68 114.83 2jqi s LEU 99 Ca 0.11 -0.66 0.03 0.00 0.02 0.00 0.00 54.13 53.64 2jqi s LEU 99 Cb 0.04 -0.21 -0.02 0.00 0.02 0.00 0.00 46.19 46.02 2jqi s LEU 99 CO -0.05 -0.24 -0.10 -0.76 0.02 0.00 0.00 176.35 175.22 2jqi s LEU 100 N -1.92 2.16 -0.12 1.79 1.02 -0.04 -1.41 118.68 120.16 2jqi s LEU 100 Ca -0.04 -0.41 -0.00 0.00 0.02 0.00 0.00 54.13 53.70 2jqi s LEU 100 Cb -0.07 -0.41 -0.02 0.00 0.02 0.00 0.00 46.19 45.72 2jqi s LEU 100 CO -0.00 -0.03 -0.11 -0.76 0.02 0.00 0.00 176.35 175.47 2jqi s LEU 101 N -1.06 2.84 -0.22 1.79 1.43 -0.71 0.14 118.68 122.90 2jqi s LEU 101 Ca -0.02 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 2jqi s LEU 101 Cb -0.07 -1.64 0.04 0.00 0.03 0.00 0.00 46.19 44.54 2jqi s LEU 101 CO 0.01 0.20 -0.16 0.21 0.23 0.00 0.00 176.35 176.84 2jqi s ASN 102 N 0.15 3.74 0.31 2.29 2.47 0.37 -2.56 114.94 121.72 2jqi s ASN 102 Ca -0.06 -0.98 -0.27 0.00 0.42 0.00 0.00 52.86 51.98 2jqi s ASN 102 Cb -0.15 -1.52 -0.10 0.00 -1.45 0.00 0.00 41.25 38.04 2jqi s ASN 102 CO 0.04 -0.09 0.98 1.51 -3.72 0.00 0.00 177.10 175.82 2jqi s ASP 103 N 1.21 7.31 -0.21 -4.21 1.47 -1.25 0.20 116.67 121.19 2jqi s ASP 103 Ca -0.01 1.94 0.16 0.00 1.18 0.00 0.00 52.55 55.82 2jqi s ASP 103 Cb -0.16 -2.59 0.38 0.00 -0.34 0.00 0.00 42.92 40.21 2jqi s ASP 103 CO -0.09 -0.09 1.26 2.30 0.68 0.00 0.00 175.17 179.23 2jqi n ILE 104 N 0.73 0.42 -3.73 2.11 -5.35 -0.67 0.19 119.36 113.07 2jqi n ILE 104 Ca 0.01 -1.48 -0.29 0.00 -0.27 0.00 0.00 62.75 60.72 2jqi n ILE 104 Cb 0.49 1.02 -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 -2.13 6.41 0.32 7.28 0.01 0.48 -4.22 113.70 121.85 2jqi s SER 105 Ca 0.17 0.43 0.09 0.00 1.31 0.00 0.00 55.95 57.95 2jqi s SER 105 Cb 0.33 -2.02 0.53 0.00 0.21 0.00 0.00 66.02 65.06 2jqi s SER 105 CO -0.09 0.02 1.73 0.74 0.41 0.00 0.00 173.24 176.06 2jqi h THR 106 N 1.77 1.31 0.00 1.44 2.02 -1.86 -3.12 112.91 114.47 2jqi h THR 106 Ca -0.47 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 65.21 2jqi h THR 106 Cb 1.18 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 2jqi h THR 106 CO 0.71 0.44 -1.69 0.59 0.37 0.00 0.00 175.52 175.93 2jqi n ASN 107 N -4.03 0.26 0.00 4.18 3.02 -1.26 -5.09 115.26 112.34 2jqi n ASN 107 Ca -0.02 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 2jqi n ASN 107 Cb 0.47 1.53 0.00 0.00 -0.61 0.00 0.00 39.78 41.17 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 1.24 3.05 3.36 7.41 0.00 -1.18 -4.83 105.19 114.25 2jqi n GLY 108 Ca -0.03 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.86 2.52 0.09 2.61 2.01 -1.26 -4.36 115.64 114.38 2jqi s THR 109 Ca 0.00 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.16 2jqi s THR 109 Cb 0.00 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 2jqi s THR 109 CO 0.00 0.58 -0.17 0.26 -0.69 0.00 0.00 174.62 174.60 2jqi s TRP 110 N -0.43 2.58 -0.21 4.92 0.51 0.35 -2.21 118.94 124.45 2jqi s TRP 110 Ca 0.05 -0.24 0.01 0.00 -2.12 0.00 0.00 56.10 53.80 2jqi s TRP 110 Cb -0.12 -1.40 0.05 0.00 -0.81 0.00 0.00 33.47 31.19 2jqi s TRP 110 CO 0.02 0.35 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.54 2jqi s LEU 111 N -1.92 2.43 -1.68 2.99 2.96 0.12 0.13 118.68 123.70 2jqi s LEU 111 Ca 0.17 -0.98 -0.13 0.00 -0.22 0.00 0.00 54.13 52.97 2jqi s LEU 111 Cb -0.11 -1.26 0.13 0.00 0.50 0.00 0.00 46.19 45.45 2jqi s LEU 111 CO 0.09 -0.16 0.51 0.59 -1.32 0.00 0.00 176.35 176.06 2jqi n ASN 112 N 4.66 -1.53 0.00 3.68 3.02 -1.10 0.89 115.26 124.88 2jqi n ASN 112 Ca -0.14 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.27 2jqi n ASN 112 Cb 0.46 -2.23 0.00 0.00 -0.61 0.00 0.00 39.78 37.40 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 -1.64 2.30 3.47 7.41 0.00 -1.26 -5.01 105.19 110.47 2jqi n GLY 113 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.46 3.61 0.06 1.61 -0.21 0.26 -5.06 119.66 119.46 2jqi s GLN 114 Ca 0.00 -0.53 -0.31 0.00 0.02 0.00 0.00 55.36 54.55 2jqi s GLN 114 Cb 0.00 -3.47 -0.07 0.00 1.00 0.00 0.00 33.01 30.48 2jqi s GLN 114 CO 0.00 -0.26 1.35 0.21 -2.12 0.00 0.00 175.29 174.47 2jqi s LYS 115 N 1.64 4.33 0.36 2.91 2.20 -1.26 0.14 119.74 130.06 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 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.76 2jqi s LYS 115 CO 0.06 -0.45 0.54 0.14 -0.36 0.00 0.00 175.35 175.28 2jqi s VAL 116 N 1.57 4.53 0.06 4.02 -7.23 -0.94 -4.91 120.40 117.50 2jqi s VAL 116 Ca 0.63 -0.69 -0.31 0.00 -1.81 0.00 0.00 61.98 59.81 2jqi s VAL 116 Cb -0.33 -3.63 -0.07 0.00 0.56 0.00 0.00 36.38 32.91 2jqi s VAL 116 CO 0.29 -0.36 1.40 -1.61 -0.31 0.00 0.00 175.10 174.51 2jqi s GLU 117 N -4.30 4.30 0.98 4.82 8.01 -1.26 -4.61 118.70 126.64 2jqi s GLU 117 Ca 0.43 2.02 -0.13 0.00 0.01 0.00 0.00 54.97 57.30 2jqi s GLU 117 Cb -0.10 -3.42 0.07 0.00 -4.31 0.00 0.00 34.13 26.38 2jqi s GLU 117 CO 0.34 -0.50 0.45 1.17 0.01 0.00 0.00 175.26 176.73 2jqi n LYS 118 N 4.66 -0.58 -2.80 1.61 4.81 -1.26 -2.26 118.16 122.34 2jqi n LYS 118 Ca 0.12 -0.13 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 2jqi n LYS 118 Cb 0.43 -1.90 -0.03 0.00 0.02 0.00 0.00 35.03 33.55 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 -1.81 -1.00 -4.56 3.14 3.02 0.51 -4.85 115.26 109.72 2jqi n ASN 119 Ca 0.06 -0.30 -0.32 0.00 -0.03 0.00 0.00 54.58 54.00 2jqi n ASN 119 Cb 0.55 -0.91 -0.11 0.00 -0.61 0.00 0.00 39.78 38.70 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 -2.01 4.43 -0.09 6.41 0.15 -0.96 -4.90 113.70 116.72 2jqi s SER 120 Ca 0.31 -0.23 -0.20 0.00 0.70 0.00 0.00 55.95 56.53 2jqi s SER 120 Cb -0.18 -0.95 -0.04 0.00 -1.71 0.00 0.00 66.02 63.14 2jqi s SER 120 CO 0.38 0.26 0.56 0.20 1.20 0.00 0.00 173.24 175.85 2jqi s ASN 121 N -1.51 6.81 0.07 5.45 -0.87 -1.26 -3.97 114.94 119.65 2jqi s ASN 121 Ca 0.17 0.97 0.06 0.00 -1.57 0.00 0.00 52.86 52.48 2jqi s ASN 121 Cb -0.11 -2.34 -0.03 0.00 -0.02 0.00 0.00 41.25 38.76 2jqi s ASN 121 CO 0.08 -0.04 -0.16 -1.10 -2.57 0.00 0.00 177.10 173.32 2jqi s GLN 122 N 0.65 0.92 -0.10 -0.60 -1.52 -1.06 -4.93 119.66 113.03 2jqi s GLN 122 Ca 0.30 -0.94 -0.30 0.00 -1.95 0.00 0.00 55.36 52.48 2jqi s GLN 122 Cb -0.16 -0.98 -0.03 0.00 -0.22 0.00 0.00 33.01 31.62 2jqi s GLN 122 CO 0.13 0.23 1.37 -1.17 -0.25 0.00 0.00 175.29 175.60 2jqi s LEU 123 N -1.58 4.25 0.83 2.90 2.96 -1.26 -1.74 118.68 125.03 2jqi s LEU 123 Ca 0.01 1.90 -0.14 0.00 -0.22 0.00 0.00 54.13 55.68 2jqi s LEU 123 Cb -0.09 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.09 2jqi s LEU 123 CO 0.02 -0.77 0.78 -0.11 -1.32 0.00 0.00 176.35 174.95 2jqi n LEU 124 N 6.35 2.05 -4.32 -0.68 7.94 -0.50 -4.92 117.00 122.92 2jqi n LEU 124 Ca 0.14 0.51 -0.23 0.00 -1.11 0.00 0.00 56.01 55.32 2jqi n LEU 124 Cb 0.44 -1.34 -0.12 0.00 0.53 0.00 0.00 43.42 42.94 2jqi n LEU 124 CO 0.58 -2.66 -0.50 -0.44 -1.11 0.00 0.00 177.39 173.26 2jqi s SER 125 N -1.92 2.70 -0.11 1.96 0.01 -1.26 -4.96 113.70 110.13 2jqi s SER 125 Ca 0.66 -0.80 -0.29 0.00 1.31 0.00 0.00 55.95 56.82 2jqi s SER 125 Cb -0.28 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 2jqi s SER 125 CO 0.58 0.01 1.43 -1.58 0.41 0.00 0.00 173.24 174.09 2jqi s GLN 126 N -2.49 4.22 -1.93 12.44 -0.44 -1.26 -2.31 119.66 127.88 2jqi s GLN 126 Ca 0.13 1.90 0.00 0.00 -2.50 0.00 0.00 55.36 54.89 2jqi s GLN 126 Cb -0.07 -3.84 0.00 0.00 -1.64 0.00 0.00 33.01 27.45 2jqi s GLN 126 CO 0.06 -0.75 0.00 0.41 0.50 0.00 0.00 175.29 175.51 2jqi n GLY 127 N 3.83 1.25 3.23 2.59 0.00 -1.18 -4.94 105.19 109.96 2jqi n GLY 127 Ca 0.15 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.25 -2.47 -3.78 1.61 2.03 -0.98 -4.47 116.55 107.25 2jqi n ASP 128 Ca -0.20 -0.13 -0.13 0.00 0.52 0.00 0.00 54.79 54.86 2jqi n ASP 128 Cb 0.64 -0.88 -0.13 0.00 -0.72 0.00 0.00 41.12 40.03 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 -3.25 0.19 -0.12 -0.67 2.12 -1.26 0.05 118.70 115.75 2jqi s GLU 129 Ca 0.53 0.35 0.02 0.00 0.36 0.00 0.00 54.97 56.23 2jqi s GLU 129 Cb -0.08 -0.01 -0.00 0.00 0.26 0.00 0.00 34.13 34.30 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 -0.08 -3.70 1.01 0.35 -2.71 121.20 119.01 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 0.53 4.74 0.05 2.92 2.01 0.34 0.38 115.64 126.61 2jqi s THR 131 Ca -0.13 -0.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.73 2jqi s THR 131 Cb -0.17 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 2jqi s THR 131 CO 0.05 0.57 -0.02 0.68 -0.69 0.00 0.00 174.62 175.21 2jqi s VAL 132 N -0.97 0.20 0.00 3.82 -7.23 0.13 0.13 120.40 116.47 2jqi s VAL 132 Ca 0.15 -1.63 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 0.04 -0.90 0.00 0.61 -0.31 0.00 0.00 175.10 174.54 2jqi n GLY 133 N 0.35 0.90 3.76 2.32 0.00 -1.26 -0.17 105.19 111.07 2jqi n GLY 133 Ca -0.16 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.57 4.12 0.00 1.61 1.01 -1.26 -3.38 120.40 119.93 2jqi s VAL 134 Ca 0.00 2.01 0.00 0.00 0.00 0.00 0.00 61.98 63.99 2jqi s VAL 134 Cb 0.00 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2jqi s VAL 134 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2jqi n GLY 135 N 1.40 2.86 2.99 4.51 0.00 -1.26 -4.97 105.19 110.72 2jqi n GLY 135 Ca -0.02 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 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 0.56 1.61 1.01 -1.26 -5.01 120.40 118.68 2jqi s VAL 136 Ca 0.00 -0.53 0.32 0.00 0.00 0.00 0.00 61.98 61.77 2jqi s VAL 136 Cb 0.00 -1.30 0.46 0.00 0.00 0.00 0.00 36.38 35.54 2jqi s VAL 136 CO 0.00 0.42 1.85 -0.33 0.00 0.00 0.00 175.10 177.04 2jqi h GLU 137 N 7.89 0.00 -0.34 2.72 4.39 -1.98 0.77 114.58 128.03 2jqi h GLU 137 Ca -0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2jqi h GLU 137 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2jqi h GLU 137 CO 0.48 0.00 0.00 0.45 -1.16 0.00 0.00 179.01 178.78 2jqi n SER 138 N -4.03 2.47 -1.03 1.42 2.88 -1.26 -4.20 113.62 109.86 2jqi n SER 138 Ca 0.17 -1.89 0.05 0.00 -1.33 0.00 0.00 58.87 55.87 2jqi n SER 138 Cb 0.96 -0.22 0.11 0.00 -0.75 0.00 0.00 64.21 64.31 2jqi n SER 138 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jqi n ASP 139 N 0.84 1.35 -4.66 -3.46 9.92 0.27 -5.05 116.55 115.76 2jqi n ASP 139 Ca 0.17 -2.94 -0.35 0.00 -0.53 0.00 0.00 54.79 51.15 2jqi n ASP 139 Cb 0.43 -0.41 -0.10 0.00 -0.64 0.00 0.00 41.12 40.40 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 -1.61 4.25 -0.05 0.53 1.01 -1.19 -4.45 121.20 119.69 2jqi s ILE 140 Ca 0.35 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.78 2jqi s ILE 140 Cb 0.37 -2.79 -0.00 0.00 0.01 0.00 0.00 42.46 40.05 2jqi s ILE 140 CO -0.12 0.59 -0.19 -0.76 0.00 0.00 0.00 174.94 174.47 2jqi s LEU 141 N -0.74 1.94 0.09 2.97 1.43 0.75 -4.98 118.68 120.14 2jqi s LEU 141 Ca 0.12 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 2jqi s LEU 141 Cb -0.12 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 2jqi s LEU 141 CO 0.02 0.16 0.07 -0.55 0.23 0.00 0.00 176.35 176.29 2jqi s SER 142 N 0.08 5.45 0.03 2.29 0.15 -1.26 0.19 113.70 120.62 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 -1.43 -0.02 0.00 -1.71 0.00 0.00 66.02 62.73 2jqi s SER 142 CO 0.03 0.16 -0.07 -0.76 1.20 0.00 0.00 173.24 173.80 2jqi s LEU 143 N -2.44 2.19 -0.02 3.45 1.43 0.16 -3.59 118.68 119.87 2jqi s LEU 143 Ca 0.29 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.04 2jqi s LEU 143 Cb -0.12 -0.21 -0.02 0.00 0.03 0.00 0.00 46.19 45.87 2jqi s LEU 143 CO 0.22 -0.12 -0.26 -0.69 0.23 0.00 0.00 176.35 175.73 2jqi s VAL 144 N -1.02 2.04 -0.10 -1.59 1.01 0.24 0.13 120.40 121.11 2jqi s VAL 144 Ca -0.06 -1.10 -0.03 0.00 0.00 0.00 0.00 61.98 60.79 2jqi s VAL 144 Cb -0.08 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 2jqi s VAL 144 CO 0.00 0.58 0.02 -0.63 0.00 0.00 0.00 175.10 175.06 2jqi s ILE 145 N -0.60 4.42 -0.20 2.22 1.01 0.11 0.93 121.20 129.08 2jqi s ILE 145 Ca 0.10 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.56 2jqi s ILE 145 Cb -0.10 -2.88 0.03 0.00 0.01 0.00 0.00 42.46 39.53 2jqi s ILE 145 CO -0.01 0.60 -0.16 -0.36 0.00 0.00 0.00 174.94 175.00 2jqi s PHE 146 N -0.78 2.81 0.00 3.97 0.40 0.33 -3.10 117.98 121.61 2jqi s PHE 146 Ca 0.12 -1.78 -0.25 0.00 -0.60 0.00 0.00 56.93 54.42 2jqi s PHE 146 Cb -0.12 -1.86 -0.05 0.00 0.51 0.00 0.00 43.02 41.51 2jqi s PHE 146 CO 0.02 -0.81 0.76 0.42 0.70 0.00 0.00 175.22 176.32 2jqi s ILE 147 N 1.27 4.86 -0.40 0.64 1.01 -1.26 0.12 121.20 127.44 2jqi s ILE 147 Ca 0.01 1.60 -0.26 0.00 0.00 0.00 0.00 60.65 62.00 2jqi s ILE 147 Cb -0.15 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.23 2jqi s ILE 147 CO -0.10 0.30 0.96 0.21 0.00 0.00 0.00 174.94 176.31 2jqi s ASN 148 N 0.36 6.65 0.54 3.58 3.84 -1.19 -4.90 114.94 123.82 2jqi s ASN 148 Ca 0.40 0.50 0.23 0.00 0.21 0.00 0.00 52.86 54.20 2jqi s ASN 148 Cb -0.20 -2.48 1.50 0.00 -0.55 0.00 0.00 41.25 39.53 2jqi s ASN 148 CO 0.22 -0.95 2.18 0.44 -2.79 0.00 0.00 177.10 176.19 2jqi h ASP 149 N 8.67 0.00 -0.54 -4.21 3.32 -1.92 -2.23 116.42 119.51 2jqi h ASP 149 Ca -0.23 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.85 2jqi h ASP 149 Cb 1.07 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.59 2jqi h ASP 149 CO 1.01 0.03 0.32 0.50 -1.72 0.00 0.00 179.24 179.38 2jqi h LYS 150 N 0.00 0.61 -0.73 3.56 3.64 -1.91 -0.85 116.57 120.88 2jqi h LYS 150 Ca -0.00 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 2jqi h LYS 150 Cb 0.06 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 2jqi h LYS 150 CO 0.00 0.40 0.45 0.35 -2.27 0.00 0.00 179.45 178.38 2jqi h PHE 151 N 0.63 0.83 -0.59 1.91 3.57 -1.59 -1.34 116.94 120.35 2jqi h PHE 151 Ca 0.22 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 2jqi h PHE 151 Cb 0.04 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 2jqi h PHE 151 CO -0.07 0.44 0.11 0.87 -2.23 0.00 0.00 178.31 177.43 2jqi h LYS 152 N 0.85 0.98 -0.53 1.11 1.57 -1.42 -2.20 116.57 116.92 2jqi h LYS 152 Ca 0.31 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2jqi h LYS 152 Cb 0.10 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2jqi h LYS 152 CO -0.14 0.92 0.33 0.37 -0.57 0.00 0.00 179.45 180.36 2jqi h GLN 153 N 0.88 0.71 -0.37 3.15 4.15 -0.55 0.14 115.11 123.22 2jqi h GLN 153 Ca 0.18 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 2jqi h GLN 153 Cb 0.41 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 2jqi h GLN 153 CO 0.01 0.50 0.20 0.00 -1.93 0.00 0.00 178.83 177.60 2jqi h LEU 155 N 0.47 0.74 -1.36 0.00 7.12 -1.13 0.83 115.31 121.98 2jqi h LEU 155 Ca 0.13 -0.22 -0.00 0.00 0.13 0.00 0.00 57.88 57.92 2jqi h LEU 155 Cb 0.07 -0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 39.98 2jqi h LEU 155 CO -0.02 0.87 0.34 -0.08 -0.13 0.00 0.00 178.44 179.42 2jqi h GLU 156 N 0.68 0.77 0.07 1.25 4.22 -0.41 -2.99 114.58 118.17 2jqi h GLU 156 Ca 0.12 -0.06 -0.35 0.00 0.08 0.00 0.00 59.36 59.14 2jqi h GLU 156 Cb 0.58 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 2jqi h GLU 156 CO 0.04 0.55 -2.00 1.04 -2.18 0.00 0.00 179.01 176.45 2jqi n GLN 157 N -4.41 0.71 -0.05 1.92 6.02 -0.89 -5.06 117.38 115.61 2jqi n GLN 157 Ca 0.05 0.24 0.01 0.00 -0.01 0.00 0.00 57.00 57.29 2jqi n GLN 157 Cb 0.08 -1.70 -0.00 0.00 1.02 0.00 0.00 30.24 29.64 2jqi n GLN 157 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2jqi n ASN 158 N -3.31 -1.42 -4.87 1.08 0.23 0.29 -4.82 115.26 102.43 2jqi n ASN 158 Ca -0.30 0.05 -0.21 0.00 -0.53 0.00 0.00 54.58 53.59 2jqi n ASN 158 Cb 1.05 -0.21 -0.03 0.00 -2.08 0.00 0.00 39.78 38.50 2jqi n ASN 158 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2jqi s LYS 159 N -0.20 2.98 -0.15 -3.83 1.02 -1.26 -5.02 119.74 113.28 2jqi s LYS 159 Ca 0.00 -1.06 -0.15 0.00 0.02 0.00 0.00 55.97 54.78 2jqi s LYS 159 Cb 0.00 -2.62 -0.05 0.00 -0.52 0.00 0.00 37.83 34.65 2jqi s LYS 159 CO 0.00 0.30 0.33 0.08 -0.92 0.00 0.00 175.35 175.13 2jqi s VAL 160 N -2.16 5.28 0.50 3.17 1.01 -1.26 -5.07 120.40 121.88 2jqi s VAL 160 Ca 0.36 0.63 -0.20 0.00 0.00 0.00 0.00 61.98 62.77 2jqi s VAL 160 Cb -0.08 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.57 2jqi s VAL 160 CO 0.27 0.38 1.09 1.51 0.00 0.00 0.00 175.10 178.35 2jqi s ASP 161 N 0.44 6.06 0.29 3.32 1.47 -1.26 -4.95 116.67 122.05 2jqi s ASP 161 Ca 0.18 2.09 0.03 0.00 1.18 0.00 0.00 52.55 56.03 2jqi s ASP 161 Cb -0.13 -2.58 0.46 0.00 -0.34 0.00 0.00 42.92 40.33 2jqi s ASP 161 CO 0.05 -0.98 1.76 -0.09 0.68 0.00 0.00 175.17 176.59 2jqi h ARG 162 N 1.50 0.51 -5.72 2.11 9.65 -2.09 -3.42 114.38 116.92 2jqi h ARG 162 Ca -0.50 -0.16 -0.67 0.00 -1.10 0.00 0.00 59.98 57.55 2jqi h ARG 162 Cb 1.24 -0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 29.69 2jqi h ARG 162 CO 0.58 0.66 -0.52 0.96 2.80 0.00 0.00 179.97 184.46 2jqi s ILE 163 N -4.64 5.20 -2.56 1.20 -4.36 -1.26 -5.37 121.20 109.41 2jqi s ILE 163 Ca -0.07 0.09 0.20 0.00 -0.26 0.00 0.00 60.65 60.62 2jqi s ILE 163 Cb 0.14 -3.25 0.16 0.00 1.25 0.00 0.00 42.46 40.76 2jqi s ILE 163 CO 0.78 0.62 1.15 0.54 0.24 0.00 0.00 174.94 178.27