#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 0.06 0.00 -2.24 -1.26 -4.29 114.28 106.55 2jqi n THR 15 Ca 0.00 0.30 0.01 0.00 -2.27 0.00 0.00 64.05 62.09 2jqi n THR 15 Cb 0.00 -1.28 0.35 0.00 -2.10 0.00 0.00 70.33 67.30 2jqi n THR 15 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 2jqi h GLN 16 N 0.00 0.39 -0.78 -0.78 -0.00 -2.07 -2.48 115.11 109.40 2jqi h GLN 16 Ca 0.00 -0.08 -0.04 0.00 -0.00 0.00 0.00 58.65 58.53 2jqi h GLN 16 Cb 0.00 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.48 27.39 2jqi h GLN 16 CO 0.00 0.46 0.32 0.00 -0.00 0.00 0.00 178.83 179.61 2jqi h ARG 17 N 0.38 1.15 -0.54 0.06 3.08 -2.01 -2.21 114.38 114.29 2jqi h ARG 17 Ca 0.08 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2jqi h ARG 17 Cb 0.32 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 2jqi h ARG 17 CO 0.01 0.92 0.35 0.74 -1.07 0.00 0.00 179.97 180.92 2jqi h PHE 18 N 1.13 0.69 -0.21 3.04 -1.00 -1.63 -1.12 116.94 117.84 2jqi h PHE 18 Ca 0.26 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.98 2jqi h PHE 18 Cb 0.19 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 2jqi h PHE 18 CO 0.02 0.45 -0.19 -0.07 -1.61 0.00 0.00 178.31 176.90 2jqi h LEU 19 N 0.74 0.35 -0.41 1.54 3.38 -1.34 -2.69 115.31 116.89 2jqi h LEU 19 Ca 0.20 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 2jqi h LEU 19 Cb -0.06 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2jqi h LEU 19 CO -0.04 0.56 -0.70 0.40 0.09 0.00 0.00 178.44 178.75 2jqi h ILE 20 N 0.33 1.36 -0.82 1.22 2.04 -1.01 -3.11 117.51 117.52 2jqi h ILE 20 Ca 0.06 -2.06 0.05 0.00 1.00 0.00 0.00 64.86 63.91 2jqi h ILE 20 Cb 0.53 2.04 -0.06 0.00 -0.74 0.00 0.00 36.82 38.60 2jqi h ILE 20 CO 0.04 0.63 0.51 -0.08 0.00 0.00 0.00 178.15 179.24 2jqi h GLU 21 N 0.32 0.91 0.00 2.37 4.22 -1.02 0.36 114.58 121.75 2jqi h GLU 21 Ca -0.03 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.33 2jqi h GLU 21 Cb 1.28 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2jqi h GLU 21 CO 0.12 0.60 -0.13 0.87 -2.18 0.00 0.00 179.01 178.30 2jqi h LYS 22 N 0.94 0.00 -0.38 1.92 1.79 -1.49 -2.48 116.57 116.87 2jqi h LYS 22 Ca 0.35 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.87 2jqi h LYS 22 Cb 0.13 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.74 2jqi h LYS 22 CO -0.16 0.13 0.14 0.35 -1.08 0.00 0.00 179.45 178.83 2jqi h PHE 23 N 0.00 0.24 0.03 -1.35 3.57 -0.86 -2.56 116.94 116.01 2jqi h PHE 23 Ca -0.00 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.29 2jqi h PHE 23 Cb 0.46 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 2jqi h PHE 23 CO 0.00 0.10 -1.12 1.03 -2.23 0.00 0.00 178.31 176.09 2jqi h SER 24 N 0.30 0.09 -3.65 0.41 0.87 -1.53 -3.50 113.55 106.53 2jqi h SER 24 Ca 0.18 -0.10 0.33 0.00 -1.23 0.00 0.00 61.79 60.97 2jqi h SER 24 Cb 0.15 -0.03 -0.18 0.00 -0.44 0.00 0.00 62.40 61.90 2jqi h SER 24 CO -0.18 1.08 -1.26 1.67 -0.53 0.00 0.00 176.83 177.61 2jqi n GLN 25 N -3.36 -3.35 -1.82 2.24 0.00 -0.95 -4.67 117.38 105.47 2jqi n GLN 25 Ca -0.04 2.75 -0.42 0.00 -0.00 0.00 0.00 57.00 59.29 2jqi n GLN 25 Cb 0.97 -3.88 -0.03 0.00 0.00 0.00 0.00 30.24 27.30 2jqi n GLN 25 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2jqi s GLU 26 N -4.36 4.16 -0.57 3.69 2.02 -1.26 -4.94 118.70 117.44 2jqi s GLU 26 Ca 0.00 2.44 -0.21 0.00 0.02 0.00 0.00 54.97 57.22 2jqi s GLU 26 Cb 0.00 -4.00 0.07 0.00 0.10 0.00 0.00 34.13 30.30 2jqi s GLU 26 CO 0.00 -0.89 0.78 -0.65 0.02 0.00 0.00 175.26 174.53 2jqi s GLN 27 N 3.99 3.13 0.17 1.61 -0.21 -1.26 -5.03 119.66 122.06 2jqi s GLN 27 Ca 0.81 -0.88 -0.28 0.00 0.02 0.00 0.00 55.36 55.04 2jqi s GLN 27 Cb -0.39 -4.17 -0.08 0.00 1.00 0.00 0.00 33.01 29.37 2jqi s GLN 27 CO 0.36 -1.49 0.87 0.42 -2.12 0.00 0.00 175.29 173.32 2jqi s ILE 28 N 3.22 4.34 0.00 1.08 -1.09 -1.26 -4.81 121.20 122.68 2jqi s ILE 28 Ca 0.18 1.90 0.00 0.00 -2.23 0.00 0.00 60.65 60.50 2jqi s ILE 28 Cb -0.19 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.46 2jqi s ILE 28 CO 0.11 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 2jqi n GLY 29 N 1.78 0.07 0.13 6.18 0.00 -1.26 -5.07 105.19 107.03 2jqi n GLY 29 Ca -0.03 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 2jqi n GLY 29 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jqi h GLU 30 N 0.00 0.38 0.00 1.61 3.07 -2.01 -3.44 114.58 114.19 2jqi h GLU 30 Ca 0.00 -0.66 0.00 0.00 -0.50 0.00 0.00 59.36 58.20 2jqi h GLU 30 Cb 0.00 0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2jqi h GLU 30 CO 0.00 1.29 0.00 0.09 -1.40 0.00 0.00 179.01 178.99 2jqi n ASN 31 N -3.58 0.00 -4.74 1.42 3.02 -1.26 -5.09 115.26 105.03 2jqi n ASN 31 Ca -0.20 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.94 2jqi n ASN 31 Cb 1.07 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 40.21 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 3.73 -0.14 2.41 -1.09 -1.26 -1.14 121.20 123.70 2jqi s ILE 32 Ca 0.00 1.48 -0.10 0.00 -2.23 0.00 0.00 60.65 59.79 2jqi s ILE 32 Cb 0.00 -3.94 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 2jqi s ILE 32 CO 0.00 0.25 -0.20 0.52 -1.23 0.00 0.00 174.94 174.28 2jqi n VAL 33 N 2.43 1.37 -3.75 2.92 0.31 0.61 -4.46 118.33 117.76 2jqi n VAL 33 Ca 0.03 0.22 -0.13 0.00 -0.01 0.00 0.00 64.34 64.45 2jqi n VAL 33 Cb 0.45 -2.35 -0.09 0.00 -0.91 0.00 0.00 33.84 30.94 2jqi n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jqi s ARG 35 N -0.93 3.15 -0.24 0.00 3.52 0.17 -1.39 118.95 123.23 2jqi s ARG 35 Ca -0.10 -0.68 -0.15 0.00 -0.13 0.00 0.00 55.73 54.66 2jqi s ARG 35 Cb -0.04 -2.57 -0.04 0.00 -1.56 0.00 0.00 34.95 30.74 2jqi s ARG 35 CO 0.04 0.33 0.38 0.14 -0.81 0.00 0.00 175.30 175.38 2jqi s VAL 36 N 0.04 5.19 -0.10 7.11 -7.23 -1.05 0.13 120.40 124.49 2jqi s VAL 36 Ca -0.05 0.63 0.01 0.00 -1.81 0.00 0.00 61.98 60.77 2jqi s VAL 36 Cb -0.14 -3.71 0.02 0.00 0.56 0.00 0.00 36.38 33.10 2jqi s VAL 36 CO 0.04 0.21 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.29 2jqi s ILE 37 N 1.67 1.27 -0.45 -0.62 1.01 0.31 -2.18 121.20 122.21 2jqi s ILE 37 Ca 0.17 -0.51 -0.22 0.00 0.00 0.00 0.00 60.65 60.09 2jqi s ILE 37 Cb -0.15 -1.19 0.03 0.00 0.01 0.00 0.00 42.46 41.16 2jqi s ILE 37 CO 0.09 0.40 0.75 0.00 0.00 0.00 0.00 174.94 176.17 2jqi h THR 39 N 5.95 0.71 0.00 0.00 1.03 -1.92 -3.24 112.91 115.45 2jqi h THR 39 Ca -0.25 -2.07 0.00 0.00 -0.01 0.00 0.00 66.41 64.08 2jqi h THR 39 Cb 1.09 2.28 0.00 0.00 -1.07 0.00 0.00 68.15 70.45 2jqi h THR 39 CO 0.95 0.41 0.00 0.35 -0.01 0.00 0.00 175.52 177.21 2jqi n THR 40 N -3.12 0.00 -2.41 0.00 -2.24 -1.25 -4.95 114.28 100.31 2jqi n THR 40 Ca -0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 2jqi n THR 40 Cb 0.74 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 1.13 -1.05 0.00 3.38 0.00 -1.22 -5.00 105.19 102.42 2jqi n GLY 41 Ca 0.19 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.86 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 -0.65 0.00 -4.75 1.61 6.02 -1.26 -5.12 117.38 113.23 2jqi n GLN 42 Ca 0.06 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.80 2jqi n GLN 42 Cb 0.35 -0.31 -0.15 0.00 1.02 0.00 0.00 30.24 31.15 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 -1.00 1.42 0.42 5.09 1.01 -1.26 -4.47 121.20 122.41 2jqi s ILE 43 Ca 0.00 -0.88 -0.24 0.00 0.00 0.00 0.00 60.65 59.53 2jqi s ILE 43 Cb 0.00 -1.20 -0.08 0.00 0.01 0.00 0.00 42.46 41.18 2jqi s ILE 43 CO 0.00 0.31 1.12 -2.16 0.00 0.00 0.00 174.94 174.21 2jqi s PRO 44 N -0.66 3.99 0.63 2.79 0.04 -1.26 -4.09 135.00 136.44 2jqi s PRO 44 Ca 0.06 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 62.61 2jqi s PRO 44 Cb -0.07 -2.53 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 2jqi s PRO 44 CO 0.00 -0.33 1.29 0.42 0.04 0.00 0.00 177.00 178.42 2jqi s ILE 45 N -1.56 2.10 0.12 0.56 1.01 -1.26 -4.84 121.20 117.33 2jqi s ILE 45 Ca 0.60 0.06 -0.04 0.00 0.00 0.00 0.00 60.65 61.27 2jqi s ILE 45 Cb -0.26 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 2jqi s ILE 45 CO 0.33 -0.01 0.12 -0.60 0.00 0.00 0.00 174.94 174.77 2jqi s ARG 46 N -3.33 0.94 -0.19 2.79 3.52 -0.93 -5.04 118.95 116.71 2jqi s ARG 46 Ca 0.81 -1.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 2jqi s ARG 46 Cb -0.37 0.28 0.02 0.00 -1.56 0.00 0.00 34.95 33.32 2jqi s ARG 46 CO 0.40 -0.28 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.91 2jqi s ASP 47 N -2.99 3.30 -0.11 -2.12 1.01 -1.26 -2.54 116.67 111.96 2jqi s ASP 47 Ca 0.18 -0.62 -0.10 0.00 0.71 0.00 0.00 52.55 52.71 2jqi s ASP 47 Cb 0.06 -1.52 -0.05 0.00 1.01 0.00 0.00 42.92 42.43 2jqi s ASP 47 CO -0.02 -0.00 0.23 -0.76 0.21 0.00 0.00 175.17 174.83 2jqi s LEU 48 N 1.31 4.37 0.07 1.23 1.43 -0.49 -5.02 118.68 121.58 2jqi s LEU 48 Ca 0.05 0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 53.65 2jqi s LEU 48 Cb -0.13 -2.25 -0.00 0.00 0.03 0.00 0.00 46.19 43.83 2jqi s LEU 48 CO -0.12 0.31 0.17 -0.94 0.23 0.00 0.00 176.35 176.00 2jqi s SER 49 N -0.63 0.14 -0.09 2.29 1.04 -1.26 -0.29 113.70 114.90 2jqi s SER 49 Ca 0.17 -0.62 -0.10 0.00 0.48 0.00 0.00 55.95 55.87 2jqi s SER 49 Cb -0.13 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.32 2jqi s SER 49 CO 0.06 -0.67 0.28 0.00 0.98 0.00 0.00 173.24 173.88 2jqi s ALA 50 N -3.56 -0.69 -0.05 5.32 0.00 -0.29 -4.79 121.76 117.69 2jqi s ALA 50 Ca 0.03 0.68 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 2jqi s ALA 50 Cb 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 2jqi s ALA 50 CO -0.09 -0.16 1.15 -0.51 0.00 0.00 0.00 175.76 176.15 2jqi s ASP 51 N -0.15 7.11 0.11 0.00 1.11 -1.26 -4.70 116.67 118.90 2jqi s ASP 51 Ca -0.03 1.77 -0.17 0.00 0.18 0.00 0.00 52.55 54.30 2jqi s ASP 51 Cb -0.03 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 2jqi s ASP 51 CO 0.01 -0.52 1.61 0.40 1.18 0.00 0.00 175.17 177.85 2jqi h ILE 52 N 4.96 1.22 -0.91 0.77 2.04 -1.99 -1.63 117.51 121.99 2jqi h ILE 52 Ca -0.35 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 2jqi h ILE 52 Cb 1.17 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 2jqi h ILE 52 CO 0.86 0.26 0.55 0.28 0.00 0.00 0.00 178.15 180.09 2jqi h SER 53 N 0.40 1.08 -0.19 1.72 0.02 -1.99 0.64 113.55 115.23 2jqi h SER 53 Ca 0.11 -0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 60.87 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 0.83 -0.30 1.56 -1.14 0.00 0.00 176.83 177.78 2jqi h GLN 54 N 1.25 0.69 -0.22 3.45 1.08 -1.94 -2.23 115.11 117.18 2jqi h GLN 54 Ca 0.33 -0.31 -0.17 0.00 -1.45 0.00 0.00 58.65 57.05 2jqi h GLN 54 Cb -0.06 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.35 2jqi h GLN 54 CO -0.06 0.90 -0.57 0.28 -0.95 0.00 0.00 178.83 178.43 2jqi h VAL 55 N 0.59 1.30 0.00 -0.54 2.07 -0.61 0.10 116.25 119.17 2jqi h VAL 55 Ca 0.07 -1.79 -0.09 0.00 0.82 0.00 0.00 66.70 65.71 2jqi h VAL 55 Cb 0.81 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2jqi h VAL 55 CO 0.07 0.57 -0.41 0.25 0.02 0.00 0.00 177.57 178.06 2jqi h LEU 56 N 0.53 0.00 0.00 2.57 6.46 -0.79 -3.07 115.31 121.00 2jqi h LEU 56 Ca 0.01 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.66 2jqi h LEU 56 Cb 1.14 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.05 2jqi h LEU 56 CO 0.11 0.41 -1.54 2.29 -0.62 0.00 0.00 178.44 179.10 2jqi n LYS 57 N -3.73 0.63 -1.80 1.25 2.85 -0.85 -4.89 118.16 111.62 2jqi n LYS 57 Ca -0.01 0.07 -0.42 0.00 -1.05 0.00 0.00 58.31 56.90 2jqi n LYS 57 Cb 0.49 -1.72 -0.03 0.00 -0.65 0.00 0.00 35.03 33.12 2jqi n LYS 57 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2jqi s GLU 58 N -3.14 4.10 -0.90 -1.58 0.41 0.35 -4.91 118.70 113.03 2jqi s GLU 58 Ca -0.04 2.41 0.00 0.00 -0.41 0.00 0.00 54.97 56.93 2jqi s GLU 58 Cb 0.10 -4.11 0.31 0.00 -1.78 0.00 0.00 34.13 28.65 2jqi s GLU 58 CO 0.83 -0.98 1.39 1.17 -0.49 0.00 0.00 175.26 177.17 2jqi n LYS 59 N 7.47 4.28 -4.12 1.61 3.00 -1.26 -4.96 118.16 124.18 2jqi n LYS 59 Ca 0.19 -4.68 -0.13 0.00 -0.00 0.00 0.00 58.31 53.70 2jqi n LYS 59 Cb 0.42 -2.41 -0.06 0.00 0.00 0.00 0.00 35.03 32.98 2jqi n LYS 59 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2jqi s ARG 60 N -3.42 1.60 0.09 1.64 0.52 -1.26 -5.07 118.95 113.05 2jqi s ARG 60 Ca 0.39 -1.62 -0.30 0.00 -0.52 0.00 0.00 55.73 53.68 2jqi s ARG 60 Cb 0.16 0.39 -0.15 0.00 0.52 0.00 0.00 34.95 35.86 2jqi s ARG 60 CO -0.04 -0.63 1.64 0.66 0.02 0.00 0.00 175.30 176.96 2jqi h SER 61 N 2.29 -0.68 -3.20 0.23 4.64 -2.03 -3.45 113.55 111.35 2jqi h SER 61 Ca -0.29 0.04 -0.54 0.00 -0.47 0.00 0.00 61.79 60.53 2jqi h SER 61 Cb 1.24 0.21 -0.17 0.00 -0.31 0.00 0.00 62.40 63.37 2jqi h SER 61 CO 0.41 -0.42 -0.77 -0.51 -0.87 0.00 0.00 176.83 174.67 2jqi s ILE 62 N -6.07 1.98 0.00 0.95 1.10 -1.26 -4.56 121.20 113.34 2jqi s ILE 62 Ca -0.16 -2.08 0.00 0.00 -0.51 0.00 0.00 60.65 57.90 2jqi s ILE 62 Cb 0.05 -2.00 0.00 0.00 0.15 0.00 0.00 42.46 40.66 2jqi s ILE 62 CO 0.63 -0.37 0.00 0.29 -2.11 0.00 0.00 174.94 173.39 2jqi n LYS 63 N -0.01 0.00 -5.13 3.50 4.01 -1.17 -5.02 118.16 114.33 2jqi n LYS 63 Ca -0.11 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.39 2jqi n LYS 63 Cb 0.58 -0.13 -0.16 0.00 -0.51 0.00 0.00 35.03 34.81 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 -0.41 2.46 -0.01 1.97 2.20 -1.15 -5.01 119.74 119.78 2jqi s LYS 64 Ca 0.00 -0.81 0.03 0.00 -0.36 0.00 0.00 55.97 54.83 2jqi s LYS 64 Cb 0.00 -2.03 -0.01 0.00 -1.51 0.00 0.00 37.83 34.29 2jqi s LYS 64 CO 0.00 0.29 -0.10 0.08 -0.36 0.00 0.00 175.35 175.26 2jqi s VAL 65 N 0.03 0.82 -0.12 4.02 1.01 -1.26 -0.95 120.40 123.95 2jqi s VAL 65 Ca -0.08 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 2jqi s VAL 65 Cb -0.14 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 2jqi s VAL 65 CO 0.05 0.24 0.12 0.26 0.00 0.00 0.00 175.10 175.76 2jqi s TRP 66 N -0.16 3.52 -0.14 5.22 0.51 0.54 -4.89 118.94 123.53 2jqi s TRP 66 Ca 0.03 0.46 -0.01 0.00 -2.12 0.00 0.00 56.10 54.46 2jqi s TRP 66 Cb -0.05 -1.93 -0.01 0.00 -0.81 0.00 0.00 33.47 30.66 2jqi s TRP 66 CO -0.00 0.66 -0.12 0.99 -0.51 0.00 0.00 176.95 177.98 2jqi s THR 67 N -0.91 3.14 0.05 2.01 2.01 -1.26 0.15 115.64 120.84 2jqi s THR 67 Ca 0.14 -0.62 0.09 0.00 0.31 0.00 0.00 61.69 61.60 2jqi s THR 67 Cb -0.12 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 2jqi s THR 67 CO 0.03 0.51 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.89 2jqi s PHE 68 N 0.45 2.42 -4.59 4.92 0.40 0.49 0.19 117.98 122.25 2jqi s PHE 68 Ca -0.09 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 2jqi s PHE 68 Cb -0.16 -1.40 0.00 0.00 0.51 0.00 0.00 43.02 41.97 2jqi s PHE 68 CO 0.04 0.20 0.00 0.41 0.70 0.00 0.00 175.22 176.57 2jqi n GLY 69 N 1.59 -1.29 0.04 4.36 0.00 -0.76 0.16 105.19 109.29 2jqi n GLY 69 Ca -0.17 -1.18 0.10 0.00 0.00 0.00 0.00 46.02 44.77 2jqi n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jqi n ARG 70 N 0.00 1.06 -2.97 1.61 1.74 0.16 -1.96 116.66 116.30 2jqi n ARG 70 Ca 0.00 -0.08 -0.40 0.00 -0.77 0.00 0.00 57.85 56.60 2jqi n ARG 70 Cb 0.00 -1.33 -0.05 0.00 -1.02 0.00 0.00 32.46 30.06 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 -1.64 7.16 0.25 0.55 3.04 0.68 -4.85 114.94 120.13 2jqi s ASN 71 Ca 0.31 1.39 0.21 0.00 0.04 0.00 0.00 52.86 54.81 2jqi s ASN 71 Cb 0.14 -2.46 0.97 0.00 -1.54 0.00 0.00 41.25 38.36 2jqi s ASN 71 CO 0.24 -0.06 1.64 -2.65 -3.04 0.00 0.00 177.10 173.23 2jqi n PRO 72 N 3.24 0.15 0.06 0.43 -0.02 -1.26 -1.85 135.00 135.75 2jqi n PRO 72 Ca -0.01 0.49 -0.22 0.00 -2.02 0.00 0.00 63.50 61.74 2jqi n PRO 72 Cb 0.51 -1.86 -0.15 0.00 -0.02 0.00 0.00 33.50 31.98 2jqi n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jqi h ALA 73 N 2.18 0.02 -1.14 3.55 0.00 -1.94 -3.47 119.26 118.46 2jqi h ALA 73 Ca 0.00 -0.92 -0.67 0.00 0.00 0.00 0.00 54.91 53.32 2jqi h ALA 73 Cb 0.22 0.29 0.10 0.00 0.00 0.00 0.00 17.79 18.41 2jqi h ALA 73 CO 0.00 0.68 -0.38 0.00 0.00 0.00 0.00 179.25 179.55 2jqi h ASP 75 N 1.35 0.00 -3.26 0.00 5.19 0.17 -3.38 116.42 116.49 2jqi h ASP 75 Ca -0.32 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.58 2jqi h ASP 75 Cb 1.42 0.00 -0.36 0.00 0.18 0.00 0.00 39.33 40.58 2jqi h ASP 75 CO 0.58 0.00 -0.80 -0.47 -3.12 0.00 0.00 179.24 175.43 2jqi s TYR 76 N -3.99 1.41 -0.44 4.55 5.04 -0.21 -4.92 117.35 118.79 2jqi s TYR 76 Ca -0.04 -0.64 -0.15 0.00 -2.44 0.00 0.00 57.07 53.80 2jqi s TYR 76 Cb 0.10 -1.14 0.04 0.00 0.35 0.00 0.00 41.96 41.30 2jqi s TYR 76 CO 0.30 -0.43 0.34 -1.58 -1.34 0.00 0.00 175.55 172.84 2jqi s HIS 77 N 1.41 3.24 0.52 4.97 2.46 -1.26 -1.82 115.29 124.81 2jqi s HIS 77 Ca -0.01 -0.74 0.05 0.00 0.47 0.00 0.00 55.06 54.83 2jqi s HIS 77 Cb -0.13 -2.84 0.02 0.00 -0.13 0.00 0.00 32.58 29.50 2jqi s HIS 77 CO -0.05 -0.68 0.34 -0.48 -2.47 0.00 0.00 174.74 171.40 2jqi s LEU 78 N 1.66 2.73 0.20 8.88 0.05 -0.83 -4.76 118.68 126.61 2jqi s LEU 78 Ca 0.05 -1.25 -0.33 0.00 0.05 0.00 0.00 54.13 52.65 2jqi s LEU 78 Cb -0.21 -1.21 -0.13 0.00 -2.05 0.00 0.00 46.19 42.59 2jqi s LEU 78 CO 0.08 -1.01 1.56 0.61 -0.55 0.00 0.00 176.35 177.05 2jqi n GLY 79 N -1.65 1.12 3.56 -3.48 0.00 -1.26 -4.52 105.19 98.95 2jqi n GLY 79 Ca -0.03 0.59 -0.29 0.00 0.00 0.00 0.00 46.02 46.29 2jqi n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jqi s ASN 80 N 0.74 5.29 -0.13 1.61 2.20 -1.26 -4.71 114.94 118.69 2jqi s ASN 80 Ca 0.74 -0.94 -0.04 0.00 -0.94 0.00 0.00 52.86 51.68 2jqi s ASN 80 Cb -0.63 -2.57 -0.03 0.00 -2.00 0.00 0.00 41.25 36.02 2jqi s ASN 80 CO 0.41 -2.65 0.01 -0.63 -2.94 0.00 0.00 177.10 171.31 2jqi s ILE 81 N 9.61 4.38 0.48 0.54 1.01 -1.26 -4.99 121.20 130.97 2jqi s ILE 81 Ca 0.67 -0.20 0.18 0.00 0.00 0.00 0.00 60.65 61.30 2jqi s ILE 81 Cb -0.05 -2.90 0.34 0.00 0.01 0.00 0.00 42.46 39.87 2jqi s ILE 81 CO 0.01 0.54 2.01 0.28 0.00 0.00 0.00 174.94 177.78 2jqi h SER 82 N 5.90 0.19 -0.03 3.58 0.02 -2.00 -2.22 113.55 118.98 2jqi h SER 82 Ca -0.43 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.52 2jqi h SER 82 Cb 1.19 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 2jqi h SER 82 CO 0.61 0.11 -0.02 -0.09 -1.14 0.00 0.00 176.83 176.29 2jqi h ARG 83 N 0.21 0.07 -7.11 3.45 9.65 -1.94 -3.44 114.38 115.27 2jqi h ARG 83 Ca 0.23 -0.04 -0.48 0.00 -1.10 0.00 0.00 59.98 58.60 2jqi h ARG 83 Cb 0.63 0.00 0.04 0.00 -1.39 0.00 0.00 29.97 29.25 2jqi h ARG 83 CO -0.04 0.51 0.39 -0.51 2.80 0.00 0.00 179.97 183.12 2jqi s LEU 84 N -9.25 3.75 0.40 3.80 1.43 -0.84 -4.65 118.68 113.33 2jqi s LEU 84 Ca -0.15 1.91 0.02 0.00 -1.03 0.00 0.00 54.13 54.88 2jqi s LEU 84 Cb 0.03 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.68 2jqi s LEU 84 CO 0.69 -0.90 0.60 -0.94 0.23 0.00 0.00 176.35 176.03 2jqi s SER 85 N -2.18 5.92 0.23 2.29 1.04 -1.26 -4.68 113.70 115.06 2jqi s SER 85 Ca 0.67 0.16 -0.16 0.00 0.48 0.00 0.00 55.95 57.10 2jqi s SER 85 Cb -0.17 -1.50 0.26 0.00 0.10 0.00 0.00 66.02 64.71 2jqi s SER 85 CO 0.25 -0.57 1.57 0.78 0.98 0.00 0.00 173.24 176.24 2jqi h ASN 86 N 0.59 -1.14 -3.39 7.02 -0.26 -1.92 -2.53 115.58 113.96 2jqi h ASN 86 Ca -0.47 0.27 -0.62 0.00 -0.56 0.00 0.00 56.30 54.92 2jqi h ASN 86 Cb 1.25 0.63 -0.42 0.00 -1.06 0.00 0.00 38.32 38.72 2jqi h ASN 86 CO 0.57 -0.29 -0.58 -1.59 -1.06 0.00 0.00 177.43 174.47 2jqi s LYS 87 N -6.07 2.37 0.14 0.81 0.00 -1.26 0.38 119.74 116.11 2jqi s LYS 87 Ca -0.14 -3.20 -0.17 0.00 0.00 0.00 0.00 55.97 52.46 2jqi s LYS 87 Cb 0.21 -3.41 -0.00 0.00 0.00 0.00 0.00 37.83 34.62 2jqi s LYS 87 CO 0.73 -1.25 1.77 1.25 0.00 0.00 0.00 175.35 177.85 2jqi h HIS 88 N 5.64 0.49 -4.03 1.78 2.76 0.20 -3.36 115.15 118.63 2jqi h HIS 88 Ca 0.10 -0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.16 2jqi h HIS 88 Cb 0.78 -0.16 -0.14 0.00 1.55 0.00 0.00 27.41 29.44 2jqi h HIS 88 CO 0.65 0.35 -0.53 -0.59 -1.30 0.00 0.00 177.93 176.51 2jqi s PHE 89 N -5.99 0.34 0.01 5.26 -0.71 -0.34 0.14 117.98 116.68 2jqi s PHE 89 Ca -0.13 -0.83 0.02 0.00 -1.04 0.00 0.00 56.93 54.95 2jqi s PHE 89 Cb 0.10 -0.23 -0.01 0.00 -1.21 0.00 0.00 43.02 41.68 2jqi s PHE 89 CO 0.73 -0.46 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.95 2jqi s GLN 90 N -3.89 0.45 -0.10 1.99 0.74 0.48 0.19 119.66 119.51 2jqi s GLN 90 Ca 0.06 -0.32 0.03 0.00 0.05 0.00 0.00 55.36 55.18 2jqi s GLN 90 Cb 0.06 -0.38 -0.01 0.00 1.10 0.00 0.00 33.01 33.78 2jqi s GLN 90 CO -0.11 0.10 -0.20 0.42 -0.55 0.00 0.00 175.29 174.95 2jqi s ILE 91 N -0.42 2.45 -0.02 -2.34 1.01 0.40 0.19 121.20 122.48 2jqi s ILE 91 Ca -0.01 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 59.82 2jqi s ILE 91 Cb -0.04 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 2jqi s ILE 91 CO -0.00 0.55 -0.24 -1.48 0.00 0.00 0.00 174.94 173.77 2jqi s LEU 92 N 0.19 2.18 -0.13 2.97 2.34 -0.28 0.20 118.68 126.16 2jqi s LEU 92 Ca -0.12 -0.43 0.01 0.00 0.06 0.00 0.00 54.13 53.66 2jqi s LEU 92 Cb -0.16 -1.38 0.02 0.00 -0.56 0.00 0.00 46.19 44.11 2jqi s LEU 92 CO 0.06 0.32 -0.14 -0.22 -1.06 0.00 0.00 176.35 175.31 2jqi s LEU 93 N -0.66 1.68 0.00 1.48 2.96 -0.13 -1.33 118.68 122.68 2jqi s LEU 93 Ca 0.10 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 2jqi s LEU 93 Cb -0.10 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.48 2jqi s LEU 93 CO -0.01 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.61 2jqi n GLY 94 N 4.48 5.07 3.24 7.98 0.00 -1.26 -2.94 105.19 121.76 2jqi n GLY 94 Ca -0.18 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.18 -1.46 1.61 -0.58 -1.26 -4.80 120.64 111.97 2jqi n GLU 95 Ca 0.00 -0.63 0.18 0.00 -0.42 0.00 0.00 57.16 56.30 2jqi n GLU 95 Cb 0.00 -1.73 -0.08 0.00 -0.57 0.00 0.00 31.44 29.06 2jqi n GLU 95 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2jqi n ASP 96 N -2.40 -8.47 -1.51 1.62 8.00 -1.26 -4.37 116.55 108.15 2jqi n ASP 96 Ca 0.03 1.15 0.02 0.00 0.71 0.00 0.00 54.79 56.70 2jqi n ASP 96 Cb 0.56 -4.79 0.26 0.00 -0.02 0.00 0.00 41.12 37.13 2jqi n ASP 96 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jqi n GLY 97 N -4.32 2.67 2.81 0.44 0.00 -1.26 -4.91 105.19 100.61 2jqi n GLY 97 Ca -0.05 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.13 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 0.30 2.23 -4.39 1.61 4.13 -1.26 -4.72 115.26 113.16 2jqi n ASN 98 Ca 0.22 -2.37 -0.20 0.00 1.68 0.00 0.00 54.58 53.90 2jqi n ASN 98 Cb 0.95 -0.05 -0.10 0.00 -1.54 0.00 0.00 39.78 39.04 2jqi n ASN 98 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2jqi s LEU 99 N 0.00 2.57 -0.00 3.41 1.02 -1.26 -4.62 118.68 119.79 2jqi s LEU 99 Ca 0.25 -1.03 0.06 0.00 0.02 0.00 0.00 54.13 53.43 2jqi s LEU 99 Cb -0.02 -0.81 -0.02 0.00 0.02 0.00 0.00 46.19 45.37 2jqi s LEU 99 CO 0.16 -0.11 -0.19 -0.76 0.02 0.00 0.00 176.35 175.48 2jqi s LEU 100 N -3.38 2.06 -0.20 1.79 1.43 -0.44 -0.88 118.68 119.06 2jqi s LEU 100 Ca 0.25 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 2jqi s LEU 100 Cb -0.02 -0.94 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 2jqi s LEU 100 CO 0.09 0.21 -0.07 -0.22 0.23 0.00 0.00 176.35 176.59 2jqi s LEU 101 N -0.58 2.83 -0.25 1.79 0.20 -0.15 -1.13 118.68 121.39 2jqi s LEU 101 Ca 0.07 -0.38 -0.03 0.00 0.69 0.00 0.00 54.13 54.48 2jqi s LEU 101 Cb -0.07 -1.70 0.02 0.00 -0.43 0.00 0.00 46.19 44.00 2jqi s LEU 101 CO -0.00 0.02 -0.04 0.21 -0.29 0.00 0.00 176.35 176.25 2jqi s ASN 102 N 1.21 4.41 0.19 3.68 2.47 0.51 -2.13 114.94 125.29 2jqi s ASN 102 Ca 0.02 -0.80 -0.30 0.00 0.42 0.00 0.00 52.86 52.21 2jqi s ASN 102 Cb -0.14 -1.70 -0.08 0.00 -1.45 0.00 0.00 41.25 37.88 2jqi s ASN 102 CO -0.02 -0.12 0.99 1.51 -3.72 0.00 0.00 177.10 175.74 2jqi s ASP 103 N 1.36 7.49 -0.28 -4.21 1.47 -1.25 0.18 116.67 121.44 2jqi s ASP 103 Ca 0.01 1.96 0.20 0.00 1.18 0.00 0.00 52.55 55.90 2jqi s ASP 103 Cb -0.16 -2.60 0.48 0.00 -0.34 0.00 0.00 42.92 40.29 2jqi s ASP 103 CO -0.03 -0.01 1.24 2.30 0.68 0.00 0.00 175.17 179.34 2jqi n ILE 104 N 2.03 0.89 -3.68 2.11 -5.35 -0.59 0.20 119.36 114.98 2jqi n ILE 104 Ca 0.00 -2.35 -0.22 0.00 -0.27 0.00 0.00 62.75 59.92 2jqi n ILE 104 Cb 0.47 1.21 -0.01 0.00 -1.74 0.00 0.00 39.64 39.57 2jqi n ILE 104 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2jqi s SER 105 N -3.01 6.23 0.18 7.28 0.01 0.37 -4.18 113.70 120.57 2jqi s SER 105 Ca 0.22 0.14 -0.07 0.00 1.31 0.00 0.00 55.95 57.54 2jqi s SER 105 Cb 0.36 -1.79 0.06 0.00 0.21 0.00 0.00 66.02 64.87 2jqi s SER 105 CO -0.07 -0.22 1.54 0.74 0.41 0.00 0.00 173.24 175.64 2jqi h THR 106 N 0.97 1.28 0.00 1.44 2.02 -1.87 -3.28 112.91 113.47 2jqi h THR 106 Ca -0.50 -1.49 -0.00 0.00 0.77 0.00 0.00 66.41 65.19 2jqi h THR 106 Cb 1.23 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2jqi h THR 106 CO 0.60 0.50 -1.86 -0.46 0.37 0.00 0.00 175.52 174.66 2jqi n ASN 107 N -4.07 0.12 0.00 4.18 0.23 -1.26 -5.09 115.26 109.37 2jqi n ASN 107 Ca -0.01 0.05 0.00 0.00 -0.53 0.00 0.00 54.58 54.09 2jqi n ASN 107 Cb 0.50 1.77 0.00 0.00 -2.08 0.00 0.00 39.78 39.97 2jqi n ASN 107 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jqi n GLY 108 N 1.25 3.43 3.36 4.83 0.00 -1.24 -4.96 105.19 111.87 2jqi n GLY 108 Ca -0.04 -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 -2.69 2.47 0.09 2.61 2.01 -1.26 -4.43 115.64 114.43 2jqi s THR 109 Ca 0.00 -0.94 0.07 0.00 0.31 0.00 0.00 61.69 61.14 2jqi s THR 109 Cb 0.00 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 2jqi s THR 109 CO 0.00 0.58 -0.13 0.26 -0.69 0.00 0.00 174.62 174.64 2jqi s TRP 110 N -0.46 2.68 -0.21 4.92 0.51 0.34 -2.46 118.94 124.26 2jqi s TRP 110 Ca 0.05 -0.18 0.01 0.00 -2.12 0.00 0.00 56.10 53.86 2jqi s TRP 110 Cb -0.12 -1.44 0.05 0.00 -0.81 0.00 0.00 33.47 31.15 2jqi s TRP 110 CO 0.01 0.38 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.57 2jqi s LEU 111 N -1.99 2.43 -1.67 2.99 2.96 0.92 0.13 118.68 124.44 2jqi s LEU 111 Ca 0.19 -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 45.45 2jqi s LEU 111 CO 0.11 -0.16 0.57 0.59 -1.32 0.00 0.00 176.35 176.13 2jqi n ASN 112 N 4.66 -1.84 0.00 3.68 3.02 -1.04 0.77 115.26 124.50 2jqi n ASN 112 Ca -0.14 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 2jqi n ASN 112 Cb 0.46 -2.38 0.00 0.00 -0.61 0.00 0.00 39.78 37.25 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 1.94 3.46 7.41 0.00 -1.26 -5.01 105.19 110.13 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 1.62 0.00 0.00 0.00 173.32 174.94 2jqi s GLN 114 N -0.39 3.59 0.09 1.61 0.74 0.23 -5.07 119.66 120.46 2jqi s GLN 114 Ca 0.00 -0.54 -0.31 0.00 0.05 0.00 0.00 55.36 54.57 2jqi s GLN 114 Cb 0.00 -3.46 -0.06 0.00 1.10 0.00 0.00 33.01 30.59 2jqi s GLN 114 CO 0.00 -0.27 1.21 0.21 -0.55 0.00 0.00 175.29 175.90 2jqi s LYS 115 N 1.64 4.44 0.34 1.67 2.47 -1.26 -0.06 119.74 128.98 2jqi s LYS 115 Ca 0.06 1.81 0.07 0.00 -1.56 0.00 0.00 55.97 56.35 2jqi s LYS 115 Cb -0.16 -3.32 -0.02 0.00 -1.46 0.00 0.00 37.83 32.88 2jqi s LYS 115 CO 0.06 -0.23 0.40 0.14 0.16 0.00 0.00 175.35 175.87 2jqi s VAL 116 N 0.82 3.78 0.03 4.02 -7.23 -1.03 -4.93 120.40 115.86 2jqi s VAL 116 Ca 0.58 -1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 59.28 2jqi s VAL 116 Cb -0.31 -3.30 -0.06 0.00 0.56 0.00 0.00 36.38 33.28 2jqi s VAL 116 CO 0.31 -0.16 1.42 -0.70 -0.31 0.00 0.00 175.10 175.66 2jqi s GLU 117 N -4.10 4.29 0.99 4.82 2.12 -1.26 -4.62 118.70 120.94 2jqi s GLU 117 Ca 0.44 2.02 -0.14 0.00 0.36 0.00 0.00 54.97 57.65 2jqi s GLU 117 Cb -0.08 -3.50 0.08 0.00 0.26 0.00 0.00 34.13 30.90 2jqi s GLU 117 CO 0.29 -0.55 0.45 1.17 -0.54 0.00 0.00 175.26 176.09 2jqi n LYS 118 N 5.03 -0.71 -2.65 4.30 4.81 -1.26 -2.27 118.16 125.40 2jqi n LYS 118 Ca 0.13 -0.17 -0.11 0.00 -0.87 0.00 0.00 58.31 57.29 2jqi n LYS 118 Cb 0.43 -1.91 -0.02 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 -1.98 -0.99 -4.56 3.14 3.02 0.54 -4.86 115.26 109.58 2jqi n ASN 119 Ca 0.06 -0.08 -0.31 0.00 -0.03 0.00 0.00 54.58 54.21 2jqi n ASN 119 Cb 0.55 -0.92 -0.11 0.00 -0.61 0.00 0.00 39.78 38.69 2jqi n ASN 119 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2jqi s SER 120 N -1.94 4.38 -0.08 6.41 0.15 -0.96 -4.91 113.70 116.75 2jqi s SER 120 Ca 0.22 -0.25 -0.21 0.00 0.70 0.00 0.00 55.95 56.41 2jqi s SER 120 Cb -0.13 -0.93 -0.04 0.00 -1.71 0.00 0.00 66.02 63.21 2jqi s SER 120 CO 0.27 0.26 0.61 0.20 1.20 0.00 0.00 173.24 175.78 2jqi s ASN 121 N -1.51 6.88 0.06 5.45 0.02 -1.26 -3.79 114.94 120.79 2jqi s ASN 121 Ca 0.17 1.05 0.06 0.00 -1.02 0.00 0.00 52.86 53.12 2jqi s ASN 121 Cb -0.11 -2.36 -0.03 0.00 0.02 0.00 0.00 41.25 38.77 2jqi s ASN 121 CO 0.08 -0.04 -0.16 -1.10 0.02 0.00 0.00 177.10 175.90 2jqi s GLN 122 N 0.60 0.96 -0.15 -0.60 -1.52 -0.90 -4.91 119.66 113.13 2jqi s GLN 122 Ca 0.33 -0.89 -0.29 0.00 -1.95 0.00 0.00 55.36 52.55 2jqi s GLN 122 Cb -0.17 -1.01 -0.02 0.00 -0.22 0.00 0.00 33.01 31.58 2jqi s GLN 122 CO 0.15 0.24 1.40 -1.17 -0.25 0.00 0.00 175.29 175.66 2jqi s LEU 123 N -1.43 4.17 0.87 2.90 1.98 -1.26 -0.98 118.68 124.93 2jqi s LEU 123 Ca 0.02 1.80 -0.13 0.00 -2.89 0.00 0.00 54.13 52.92 2jqi s LEU 123 Cb -0.09 -3.54 0.04 0.00 0.66 0.00 0.00 46.19 43.27 2jqi s LEU 123 CO 0.02 -0.87 0.69 -0.11 -1.89 0.00 0.00 176.35 174.19 2jqi n LEU 124 N 6.97 1.43 -4.33 -0.68 7.94 -0.06 -4.90 117.00 123.37 2jqi n LEU 124 Ca 0.15 0.45 -0.23 0.00 -1.11 0.00 0.00 56.01 55.27 2jqi n LEU 124 Cb 0.44 -1.31 -0.12 0.00 0.53 0.00 0.00 43.42 42.97 2jqi n LEU 124 CO 0.59 -2.93 -0.50 -0.44 -1.11 0.00 0.00 177.39 173.00 2jqi s SER 125 N -2.00 2.74 -0.06 1.96 0.01 -1.26 -4.88 113.70 110.21 2jqi s SER 125 Ca 0.63 -0.80 -0.30 0.00 1.31 0.00 0.00 55.95 56.79 2jqi s SER 125 Cb -0.26 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.76 2jqi s SER 125 CO 0.61 0.02 1.41 -1.10 0.41 0.00 0.00 173.24 174.59 2jqi s GLN 126 N -2.47 4.25 -1.96 12.44 -1.52 -1.26 -2.57 119.66 126.57 2jqi s GLN 126 Ca 0.13 1.92 0.00 0.00 -1.95 0.00 0.00 55.36 55.46 2jqi s GLN 126 Cb -0.07 -3.73 0.00 0.00 -0.22 0.00 0.00 33.01 28.98 2jqi s GLN 126 CO 0.06 -0.67 0.00 0.41 -0.25 0.00 0.00 175.29 174.84 2jqi n GLY 127 N 3.74 1.15 3.30 3.09 0.00 -1.19 -4.94 105.19 110.34 2jqi n GLY 127 Ca 0.14 0.00 -0.28 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 -1.45 -2.81 -3.78 1.61 2.03 -1.06 -4.57 116.55 106.51 2jqi n ASP 128 Ca -0.21 -0.42 -0.13 0.00 0.52 0.00 0.00 54.79 54.55 2jqi n ASP 128 Cb 0.65 -1.07 -0.13 0.00 -0.72 0.00 0.00 41.12 39.86 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 -4.32 0.19 -0.17 -0.67 2.12 -1.26 -0.87 118.70 113.71 2jqi s GLU 129 Ca 0.63 0.34 -0.04 0.00 0.36 0.00 0.00 54.97 56.26 2jqi s GLU 129 Cb -0.17 -0.01 -0.02 0.00 0.26 0.00 0.00 34.13 34.19 2jqi s GLU 129 CO 0.60 -0.09 -0.03 0.42 -0.54 0.00 0.00 175.26 175.62 2jqi s ILE 130 N 0.59 3.85 -0.10 -3.70 1.09 0.46 -2.51 121.20 120.88 2jqi s ILE 130 Ca -0.04 -0.36 -0.04 0.00 -1.10 0.00 0.00 60.65 59.11 2jqi s ILE 130 Cb -0.06 -2.71 -0.04 0.00 -1.06 0.00 0.00 42.46 38.60 2jqi s ILE 130 CO -0.03 0.47 0.05 -0.89 -0.10 0.00 0.00 174.94 174.43 2jqi s THR 131 N 0.66 4.70 0.05 2.92 2.01 0.34 0.00 115.64 126.33 2jqi s THR 131 Ca -0.02 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.88 2jqi s THR 131 Cb -0.14 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 2jqi s THR 131 CO 0.02 0.60 -0.02 0.68 -0.69 0.00 0.00 174.62 175.21 2jqi s VAL 132 N -0.81 0.20 0.00 3.82 -7.23 0.10 0.13 120.40 116.61 2jqi s VAL 132 Ca 0.13 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 2jqi s VAL 132 Cb -0.12 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.51 2jqi s VAL 132 CO 0.03 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.52 2jqi n GLY 133 N 0.34 0.86 3.76 2.32 0.00 -1.26 0.11 105.19 111.32 2jqi n GLY 133 Ca -0.16 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.66 3.83 0.00 1.61 1.01 -1.26 -2.79 120.40 120.14 2jqi s VAL 134 Ca 0.00 1.82 0.00 0.00 0.00 0.00 0.00 61.98 63.80 2jqi s VAL 134 Cb 0.00 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2jqi s VAL 134 CO 0.00 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.12 2jqi n GLY 135 N 1.29 4.17 3.01 4.51 0.00 -1.26 -5.02 105.19 111.89 2jqi n GLY 135 Ca -0.01 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 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 0.54 1.61 1.01 -1.26 -5.01 120.40 118.66 2jqi s VAL 136 Ca 0.00 -0.55 0.33 0.00 0.00 0.00 0.00 61.98 61.76 2jqi s VAL 136 Cb 0.00 -1.28 0.49 0.00 0.00 0.00 0.00 36.38 35.59 2jqi s VAL 136 CO 0.00 0.42 1.86 -0.33 0.00 0.00 0.00 175.10 177.05 2jqi h GLU 137 N 7.63 0.00 -0.33 2.72 5.08 -1.98 0.70 114.58 128.40 2jqi h GLU 137 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2jqi h GLU 137 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2jqi h GLU 137 CO 0.48 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.92 2jqi n SER 138 N -4.19 2.45 -0.35 1.42 7.64 -1.26 -4.15 113.62 115.19 2jqi n SER 138 Ca 0.19 -1.88 0.07 0.00 1.01 0.00 0.00 58.87 58.26 2jqi n SER 138 Cb 1.01 -0.22 0.13 0.00 -1.01 0.00 0.00 64.21 64.12 2jqi n SER 138 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jqi n ASP 139 N 0.83 1.77 -4.68 6.43 8.00 0.24 -5.03 116.55 124.12 2jqi n ASP 139 Ca 0.17 -3.06 -0.35 0.00 0.71 0.00 0.00 54.79 52.26 2jqi n ASP 139 Cb 0.43 -0.41 -0.10 0.00 -0.02 0.00 0.00 41.12 41.02 2jqi n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jqi s ILE 140 N -2.37 4.33 -0.05 0.53 1.01 -1.12 -4.09 121.20 119.43 2jqi s ILE 140 Ca 0.29 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.75 2jqi s ILE 140 Cb 0.27 -2.83 -0.00 0.00 0.01 0.00 0.00 42.46 39.91 2jqi s ILE 140 CO -0.01 0.60 -0.19 -0.22 0.00 0.00 0.00 174.94 175.11 2jqi s LEU 141 N -0.79 1.95 -0.15 2.97 0.20 0.31 -4.94 118.68 118.23 2jqi s LEU 141 Ca 0.12 -0.40 -0.03 0.00 0.69 0.00 0.00 54.13 54.52 2jqi s LEU 141 Cb -0.11 -1.08 -0.02 0.00 -0.43 0.00 0.00 46.19 44.54 2jqi s LEU 141 CO 0.02 0.17 -0.07 -0.44 -0.29 0.00 0.00 176.35 175.74 2jqi s SER 142 N 0.05 4.50 -0.04 3.68 0.01 -1.26 0.03 113.70 120.67 2jqi s SER 142 Ca -0.05 -0.22 0.06 0.00 1.31 0.00 0.00 55.95 57.05 2jqi s SER 142 Cb -0.13 -1.72 -0.01 0.00 0.21 0.00 0.00 66.02 64.37 2jqi s SER 142 CO 0.03 0.15 -0.22 -0.76 0.41 0.00 0.00 173.24 172.85 2jqi s LEU 143 N 0.45 2.02 -0.06 2.44 1.43 0.10 -3.84 118.68 121.21 2jqi s LEU 143 Ca -0.06 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 2jqi s LEU 143 Cb -0.15 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 2jqi s LEU 143 CO 0.03 0.23 -0.08 -0.69 0.23 0.00 0.00 176.35 176.08 2jqi s VAL 144 N -0.22 3.63 -0.12 -1.59 1.01 0.26 0.18 120.40 123.54 2jqi s VAL 144 Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 2jqi s VAL 144 Cb -0.12 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 2jqi s VAL 144 CO 0.02 0.59 0.02 -0.63 0.00 0.00 0.00 175.10 175.10 2jqi s ILE 145 N -0.81 4.45 -0.28 2.22 1.01 -0.05 0.11 121.20 127.86 2jqi s ILE 145 Ca 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 2jqi s ILE 145 Cb -0.11 -2.92 0.04 0.00 0.01 0.00 0.00 42.46 39.48 2jqi s ILE 145 CO 0.02 0.56 -0.04 -0.36 0.00 0.00 0.00 174.94 175.11 2jqi s PHE 146 N -0.45 3.19 -0.07 3.97 0.40 0.35 -3.19 117.98 122.18 2jqi s PHE 146 Ca 0.09 -1.84 -0.25 0.00 -0.60 0.00 0.00 56.93 54.32 2jqi s PHE 146 Cb -0.12 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.32 2jqi s PHE 146 CO 0.02 -0.79 0.78 0.42 0.70 0.00 0.00 175.22 176.35 2jqi s ILE 147 N 1.25 4.98 0.15 0.64 1.09 -1.26 0.43 121.20 128.48 2jqi s ILE 147 Ca -0.04 1.60 -0.30 0.00 -1.10 0.00 0.00 60.65 60.81 2jqi s ILE 147 Cb -0.19 -4.11 -0.07 0.00 -1.06 0.00 0.00 42.46 37.03 2jqi s ILE 147 CO -0.03 0.19 1.10 0.21 -0.10 0.00 0.00 174.94 176.30 2jqi s ASN 148 N 0.92 7.26 0.25 3.58 2.47 -1.21 -4.94 114.94 123.28 2jqi s ASN 148 Ca 0.40 2.04 0.11 0.00 0.42 0.00 0.00 52.86 55.84 2jqi s ASN 148 Cb -0.18 -2.60 0.27 0.00 -1.45 0.00 0.00 41.25 37.29 2jqi s ASN 148 CO 0.19 -0.24 1.56 0.44 -3.72 0.00 0.00 177.10 175.33 2jqi h ASP 149 N 5.41 0.00 -0.45 -4.21 5.19 -1.93 -3.18 116.42 117.24 2jqi h ASP 149 Ca -0.44 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 55.98 2jqi h ASP 149 Cb 1.21 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.70 2jqi h ASP 149 CO 0.73 0.66 0.29 0.11 -3.12 0.00 0.00 179.24 177.91 2jqi h LYS 150 N 0.00 0.57 -0.60 3.56 1.57 -1.92 -0.01 116.57 119.74 2jqi h LYS 150 Ca -0.01 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2jqi h LYS 150 Cb 1.21 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 2jqi h LYS 150 CO 0.09 0.38 0.25 0.35 -0.57 0.00 0.00 179.45 179.94 2jqi h PHE 151 N 0.58 0.90 0.00 -1.35 3.57 -1.77 -1.52 116.94 117.35 2jqi h PHE 151 Ca 0.17 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2jqi h PHE 151 Cb -0.04 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.43 2jqi h PHE 151 CO -0.05 0.71 -0.00 0.87 -2.23 0.00 0.00 178.31 177.61 2jqi h LYS 152 N 0.82 -0.00 -0.72 1.11 1.57 -1.46 -1.47 116.57 116.42 2jqi h LYS 152 Ca 0.20 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 2jqi h LYS 152 Cb 0.19 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 2jqi h LYS 152 CO -0.02 0.25 0.48 -0.56 -0.57 0.00 0.00 179.45 179.03 2jqi h GLN 153 N -0.25 0.89 -0.20 3.15 3.07 -0.95 0.24 115.11 121.06 2jqi h GLN 153 Ca -0.00 -0.05 -0.05 0.00 0.09 0.00 0.00 58.65 58.63 2jqi h GLN 153 Cb 0.25 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 27.61 2jqi h GLN 153 CO 0.00 0.59 -0.08 0.00 0.09 0.00 0.00 178.83 179.43 2jqi h LEU 155 N 0.12 0.61 -0.95 0.00 -0.00 -0.84 0.82 115.31 115.07 2jqi h LEU 155 Ca 0.05 -0.25 -0.02 0.00 -0.00 0.00 0.00 57.88 57.66 2jqi h LEU 155 Cb 0.55 -0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 41.00 2jqi h LEU 155 CO 0.03 0.90 0.48 -0.33 -0.00 0.00 0.00 178.44 179.52 2jqi h GLU 156 N 0.50 1.22 0.10 1.13 4.39 -0.47 -3.08 114.58 118.37 2jqi h GLU 156 Ca 0.06 -0.14 -0.34 0.00 0.34 0.00 0.00 59.36 59.28 2jqi h GLU 156 Cb 0.82 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 2jqi h GLU 156 CO 0.07 0.89 -1.84 0.37 -1.16 0.00 0.00 179.01 177.34 2jqi h GLN 157 N 1.23 0.21 0.00 2.33 4.15 -1.28 -3.50 115.11 118.24 2jqi h GLN 157 Ca 0.31 -0.36 0.01 0.00 0.77 0.00 0.00 58.65 59.38 2jqi h GLN 157 Cb 0.03 0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 2jqi h GLN 157 CO -0.05 1.04 -0.02 0.27 -1.93 0.00 0.00 178.83 178.14 2jqi n ASN 158 N -3.38 -1.42 -4.63 -0.69 0.23 0.28 -4.35 115.26 101.29 2jqi n ASN 158 Ca -0.25 0.05 -0.43 0.00 -0.53 0.00 0.00 54.58 53.42 2jqi n ASN 158 Cb 1.05 -0.21 -0.02 0.00 -2.08 0.00 0.00 39.78 38.52 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 -0.19 3.90 0.28 -3.83 2.36 -1.26 -4.98 119.74 116.01 2jqi s LYS 159 Ca 0.00 1.42 -0.29 0.00 -2.55 0.00 0.00 55.97 54.54 2jqi s LYS 159 Cb 0.00 -3.92 -0.10 0.00 -1.05 0.00 0.00 37.83 32.76 2jqi s LYS 159 CO 0.00 -1.15 1.23 0.14 1.55 0.00 0.00 175.35 177.13 2jqi s VAL 160 N 4.57 3.13 0.06 4.02 -7.23 -1.26 -4.95 120.40 118.74 2jqi s VAL 160 Ca 0.61 1.08 -0.15 0.00 -1.81 0.00 0.00 61.98 61.71 2jqi s VAL 160 Cb -0.20 -3.69 -0.28 0.00 0.56 0.00 0.00 36.38 32.78 2jqi s VAL 160 CO 0.25 0.23 1.11 -0.78 -0.31 0.00 0.00 175.10 175.60 2jqi h ASP 161 N 4.08 0.88 -3.06 4.85 1.82 -1.95 -3.45 116.42 119.59 2jqi h ASP 161 Ca -0.47 -0.81 -0.21 0.00 -0.39 0.00 0.00 57.03 55.15 2jqi h ASP 161 Cb 1.22 -0.28 -0.32 0.00 0.68 0.00 0.00 39.33 40.64 2jqi h ASP 161 CO 0.69 1.60 -0.52 -0.13 -1.61 0.00 0.00 179.24 179.27 2jqi s ARG 162 N -3.04 0.16 -0.13 0.28 0.52 -1.26 -5.14 118.95 110.34 2jqi s ARG 162 Ca -0.10 0.66 -0.16 0.00 -0.52 0.00 0.00 55.73 55.61 2jqi s ARG 162 Cb 0.06 -0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.40 2jqi s ARG 162 CO 0.93 -0.24 0.40 0.96 0.02 0.00 0.00 175.30 177.37 2jqi s ILE 163 N 1.97 5.23 -2.91 1.52 -4.36 -1.26 -5.28 121.20 116.11 2jqi s ILE 163 Ca -0.03 0.78 0.25 0.00 -0.26 0.00 0.00 60.65 61.39 2jqi s ILE 163 Cb -0.11 -3.74 0.25 0.00 1.25 0.00 0.00 42.46 40.11 2jqi s ILE 163 CO -0.08 0.36 1.35 0.54 0.24 0.00 0.00 174.94 177.34