#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqa s GLY 2 N 0.00 1.56 -0.03 3.03 0.00 -1.26 -5.07 107.32 105.55 2jqa s GLY 2 Ca 0.00 -2.34 -0.28 0.00 0.00 0.00 0.00 44.72 42.10 2jqa s GLY 2 CO 0.00 1.46 1.27 -2.39 0.00 0.00 0.00 173.10 173.44 2jqa n HIS 3 N 4.01 -0.34 -3.79 1.90 -0.00 -1.26 -5.20 115.22 110.53 2jqa n HIS 3 Ca 0.05 -0.69 -0.03 0.00 -0.00 0.00 0.00 57.72 57.04 2jqa n HIS 3 Cb 0.37 0.31 -0.00 0.00 -0.00 0.00 0.00 29.99 30.67 2jqa n HIS 3 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 2jqa s THR 4 N -2.02 0.00 -0.17 0.61 -1.32 -1.26 -5.19 115.64 106.29 2jqa s THR 4 Ca 0.30 -0.65 -0.11 0.00 -1.21 0.00 0.00 61.69 60.02 2jqa s THR 4 Cb -0.01 -2.28 0.06 0.00 -1.51 0.00 0.00 72.50 68.75 2jqa s THR 4 CO -0.01 0.00 0.43 -0.32 -2.21 0.00 0.00 174.62 172.51 2jqa s MET 5 N -2.91 0.43 0.45 7.08 -2.45 -1.26 -5.17 119.30 115.47 2jqa s MET 5 Ca 0.15 0.76 -0.21 0.00 -1.25 0.00 0.00 55.69 55.15 2jqa s MET 5 Cb -0.02 0.04 -0.10 0.00 1.25 0.00 0.00 34.83 36.01 2jqa s MET 5 CO 0.03 -0.14 0.99 -1.25 1.05 0.00 0.00 175.02 175.70 2jqa s PRO 6 N 1.15 4.08 0.68 4.11 0.04 -1.26 -5.09 135.00 138.71 2jqa s PRO 6 Ca -0.07 1.23 -0.03 0.00 0.04 0.00 0.00 61.00 62.16 2jqa s PRO 6 Cb -0.07 -2.18 0.08 0.00 0.04 0.00 0.00 34.50 32.37 2jqa s PRO 6 CO -0.10 -0.17 0.95 0.00 0.04 0.00 0.00 177.00 177.72 2jqa s ALA 7 N -2.07 3.47 0.27 8.56 0.00 -1.26 -5.14 121.76 125.59 2jqa s ALA 7 Ca 0.63 -1.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.17 2jqa s ALA 7 Cb -0.12 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.70 2jqa s ALA 7 CO 0.16 -1.24 0.59 -3.38 0.00 0.00 0.00 175.76 171.90 2jqa s HIS 8 N -3.11 0.17 -0.06 0.00 -3.43 -1.26 -5.19 115.29 102.42 2jqa s HIS 8 Ca 0.62 -0.59 -0.24 0.00 -0.80 0.00 0.00 55.06 54.05 2jqa s HIS 8 Cb -0.09 0.42 0.05 0.00 -1.43 0.00 0.00 32.58 31.53 2jqa s HIS 8 CO 0.43 -1.13 0.53 -0.08 -2.00 0.00 0.00 174.74 172.49 2jqa s THR 9 N -3.82 0.02 0.64 -5.38 -1.32 -1.26 -5.19 115.64 99.33 2jqa s THR 9 Ca 0.18 -0.17 -0.08 0.00 -1.21 0.00 0.00 61.69 60.41 2jqa s THR 9 Cb -0.03 -0.83 0.01 0.00 -1.51 0.00 0.00 72.50 70.14 2jqa s THR 9 CO 0.09 -0.09 0.98 -2.16 -2.21 0.00 0.00 174.62 171.22 2jqa s PRO 10 N -1.05 2.90 0.56 7.08 0.04 -1.26 -5.12 135.00 138.15 2jqa s PRO 10 Ca -0.10 0.18 -0.09 0.00 0.04 0.00 0.00 61.00 61.02 2jqa s PRO 10 Cb -0.02 -2.17 0.13 0.00 0.04 0.00 0.00 34.50 32.48 2jqa s PRO 10 CO 0.07 -0.83 0.63 -0.35 0.04 0.00 0.00 177.00 176.55 2jqa n PRO 11 N -2.75 -1.33 -3.99 0.56 -0.04 -1.26 -5.13 135.00 121.06 2jqa n PRO 11 Ca 0.05 -0.98 -0.09 0.00 -0.04 0.00 0.00 63.50 62.45 2jqa n PRO 11 Cb 0.57 -0.76 -0.10 0.00 -0.04 0.00 0.00 33.50 33.17 2jqa n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jqa s ALA 12 N -3.53 0.17 0.02 0.55 0.00 -1.26 -5.18 121.76 112.53 2jqa s ALA 12 Ca 0.38 -0.75 -0.18 0.00 0.00 0.00 0.00 51.96 51.40 2jqa s ALA 12 Cb -0.02 0.21 0.04 0.00 0.00 0.00 0.00 23.12 23.34 2jqa s ALA 12 CO 0.27 -0.27 0.41 1.14 0.00 0.00 0.00 175.76 177.32 2jqa s GLN 13 N -2.49 0.87 -0.13 0.00 -2.07 -1.26 -5.18 119.66 109.39 2jqa s GLN 13 Ca -0.06 -0.26 -0.33 0.00 -1.82 0.00 0.00 55.36 52.89 2jqa s GLN 13 Cb -0.02 0.39 0.13 0.00 -1.09 0.00 0.00 33.01 32.41 2jqa s GLN 13 CO -0.05 -0.28 1.10 -0.08 -1.32 0.00 0.00 175.29 174.67 2jqa s THR 14 N -2.05 0.00 -0.15 3.63 -1.32 -1.26 -5.18 115.64 109.31 2jqa s THR 14 Ca -0.08 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.42 2jqa s THR 14 Cb -0.02 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.99 2jqa s THR 14 CO 0.01 0.00 -0.21 0.00 -2.21 0.00 0.00 174.62 172.21 2jqa s ALA 15 N -2.59 2.21 0.81 11.08 0.00 -1.26 -5.14 121.76 126.86 2jqa s ALA 15 Ca 0.08 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 2jqa s ALA 15 Cb -0.01 -1.03 0.10 0.00 0.00 0.00 0.00 23.12 22.18 2jqa s ALA 15 CO -0.06 -0.13 1.15 -1.25 0.00 0.00 0.00 175.76 175.47 2jqa s PRO 16 N 0.99 1.71 0.28 0.00 0.04 -1.26 -5.12 135.00 131.63 2jqa s PRO 16 Ca -0.03 -0.20 -0.21 0.00 0.04 0.00 0.00 61.00 60.60 2jqa s PRO 16 Cb -0.15 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.41 2jqa s PRO 16 CO -0.05 -1.67 0.76 0.00 0.04 0.00 0.00 177.00 176.08 2jqa s ALA 17 N -3.52 -1.21 0.00 8.56 0.00 -1.26 -5.18 121.76 119.15 2jqa s ALA 17 Ca 0.64 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2jqa s ALA 17 Cb -0.09 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.83 2jqa s ALA 17 CO 0.48 -1.03 0.00 0.00 0.00 0.00 0.00 175.76 175.21 2jqa n ALA 18 N -0.48 0.00 -3.08 0.00 0.00 -1.26 -5.21 120.51 110.49 2jqa n ALA 18 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.27 2jqa n ALA 18 Cb 0.59 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 2jqa n ALA 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2jqa s GLN 19 N 2.29 0.95 0.00 0.00 0.74 -1.26 -5.19 119.66 117.20 2jqa s GLN 19 Ca 0.00 -0.50 -0.13 0.00 0.05 0.00 0.00 55.36 54.78 2jqa s GLN 19 Cb 0.00 0.42 0.02 0.00 1.10 0.00 0.00 33.01 34.55 2jqa s GLN 19 CO 0.00 -0.34 0.28 -1.59 -0.55 0.00 0.00 175.29 173.09 2jqa s LYS 20 N -2.94 0.67 0.00 1.67 -2.85 -1.26 -5.14 119.74 109.89 2jqa s LYS 20 Ca -0.02 -0.31 0.00 0.00 -1.00 0.00 0.00 55.97 54.64 2jqa s LYS 20 Cb 0.00 0.29 0.00 0.00 -2.06 0.00 0.00 37.83 36.06 2jqa s LYS 20 CO -0.06 -0.19 0.00 0.00 0.10 0.00 0.00 175.35 175.20 2jqa n ALA 21 N 1.13 0.00 0.00 0.59 0.00 -1.26 -5.18 120.51 115.80 2jqa n ALA 21 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2jqa n ALA 21 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2jqa n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jqa n GLY 22 N 0.00 0.96 3.67 0.00 0.00 -1.26 -5.17 105.19 103.39 2jqa n GLY 22 Ca 0.00 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 2jqa n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqa s ALA 23 N -1.06 -1.25 0.26 4.61 0.00 -1.26 -5.21 121.76 117.85 2jqa s ALA 23 Ca 0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 51.96 51.67 2jqa s ALA 23 Cb 0.00 0.87 0.04 0.00 0.00 0.00 0.00 23.12 24.03 2jqa s ALA 23 CO 0.00 -0.92 0.80 -1.14 0.00 0.00 0.00 175.76 174.51 2jqa s GLN 24 N -3.87 1.67 -0.17 0.00 0.74 -1.26 -5.19 119.66 111.59 2jqa s GLN 24 Ca 0.08 -0.95 -0.14 0.00 0.05 0.00 0.00 55.36 54.39 2jqa s GLN 24 Cb -0.04 0.55 0.05 0.00 1.10 0.00 0.00 33.01 34.67 2jqa s GLN 24 CO -0.00 -0.77 0.45 0.00 -0.55 0.00 0.00 175.29 174.42 2jqa s ALA 25 N -3.49 -1.13 0.06 1.58 0.00 -1.26 -5.18 121.76 112.34 2jqa s ALA 25 Ca 0.12 1.37 0.10 0.00 0.00 0.00 0.00 51.96 53.55 2jqa s ALA 25 Cb -0.05 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 2jqa s ALA 25 CO 0.06 -0.23 -0.26 -0.51 0.00 0.00 0.00 175.76 174.82 2jqa s LEU 26 N 0.53 2.20 -1.27 0.00 2.01 -1.26 -5.06 118.68 115.83 2jqa s LEU 26 Ca -0.02 -0.62 -0.18 0.00 0.01 0.00 0.00 54.13 53.32 2jqa s LEU 26 Cb -0.04 -1.28 0.01 0.00 0.01 0.00 0.00 46.19 44.89 2jqa s LEU 26 CO -0.03 0.24 1.92 -0.81 1.01 0.00 0.00 176.35 178.68 2jqa n PRO 27 N 1.61 2.69 -3.78 1.29 -0.04 -1.26 -4.87 135.00 130.64 2jqa n PRO 27 Ca -0.17 -2.84 -0.13 0.00 -0.04 0.00 0.00 63.50 60.32 2jqa n PRO 27 Cb 0.52 -3.43 -0.10 0.00 -0.04 0.00 0.00 33.50 30.46 2jqa n PRO 27 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jqa s VAL 28 N 5.14 0.04 0.19 0.52 0.11 -1.26 -4.68 120.40 120.46 2jqa s VAL 28 Ca 0.55 -0.32 -0.21 0.00 -2.93 0.00 0.00 61.98 59.07 2jqa s VAL 28 Cb 0.07 -0.51 0.05 0.00 -1.53 0.00 0.00 36.38 34.45 2jqa s VAL 28 CO 0.05 -0.18 0.60 -0.89 -3.33 0.00 0.00 175.10 171.35 2jqa s THR 29 N -0.76 0.01 -0.19 5.04 2.01 -1.26 -5.03 115.64 115.46 2jqa s THR 29 Ca -0.08 -0.44 -0.11 0.00 0.31 0.00 0.00 61.69 61.36 2jqa s THR 29 Cb -0.04 -1.38 0.06 0.00 0.01 0.00 0.00 72.50 71.15 2jqa s THR 29 CO 0.02 -0.04 0.47 -0.69 -0.69 0.00 0.00 174.62 173.69 2jqa s VAL 30 N -3.82 -0.03 0.00 3.82 1.01 -1.24 -1.90 120.40 118.24 2jqa s VAL 30 Ca 0.05 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2jqa s VAL 30 Cb -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.66 2jqa s VAL 30 CO -0.06 0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.07 2jqa n GLN 31 N 4.29 0.00 -1.50 2.72 10.64 -0.41 -4.76 117.38 128.37 2jqa n GLN 31 Ca -0.23 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.54 2jqa n GLN 31 Cb 0.56 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.92 2jqa n GLN 31 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jqa n GLY 32 N 0.00 4.36 3.48 2.61 0.00 -1.26 -4.90 105.19 109.48 2jqa n GLY 32 Ca 0.00 -1.57 -0.63 0.00 0.00 0.00 0.00 46.02 43.82 2jqa n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqa n ALA 33 N 4.28 -0.43 -3.12 4.61 0.00 -1.26 -4.48 120.51 120.10 2jqa n ALA 33 Ca 0.69 0.32 -0.45 0.00 0.00 0.00 0.00 53.44 54.00 2jqa n ALA 33 Cb 0.28 -2.03 -0.05 0.00 0.00 0.00 0.00 19.45 17.65 2jqa n ALA 33 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jqa s THR 34 N 4.70 4.90 0.47 0.00 -4.23 0.34 -1.56 115.64 120.24 2jqa s THR 34 Ca 1.13 -1.06 -0.21 0.00 -1.18 0.00 0.00 61.69 60.36 2jqa s THR 34 Cb -1.46 -4.45 -0.09 0.00 1.34 0.00 0.00 72.50 67.84 2jqa s THR 34 CO 0.72 -1.06 1.03 -0.69 -0.54 0.00 0.00 174.62 174.08 2jqa s VAL 35 N 2.48 3.84 -0.70 2.29 1.01 -0.30 -2.36 120.40 126.65 2jqa s VAL 35 Ca 0.10 1.19 -0.26 0.00 0.00 0.00 0.00 61.98 63.01 2jqa s VAL 35 Cb -0.25 -3.50 -0.12 0.00 0.00 0.00 0.00 36.38 32.51 2jqa s VAL 35 CO 0.06 -0.21 2.41 0.00 0.00 0.00 0.00 175.10 177.36 2jqa s ALA 36 N -1.95 0.96 0.14 5.51 0.00 0.37 -3.49 121.76 123.30 2jqa s ALA 36 Ca 0.65 -0.56 -0.33 0.00 0.00 0.00 0.00 51.96 51.72 2jqa s ALA 36 Cb -0.16 -4.51 -0.17 0.00 0.00 0.00 0.00 23.12 18.27 2jqa s ALA 36 CO 0.20 -5.50 0.87 0.00 0.00 0.00 0.00 175.76 171.33 2jqa n ALA 37 N 17.89 -2.41 -3.50 0.00 0.00 -1.26 -4.72 120.51 126.51 2jqa n ALA 37 Ca 0.44 0.49 -0.15 0.00 0.00 0.00 0.00 53.44 54.22 2jqa n ALA 37 Cb 0.47 -1.78 -0.05 0.00 0.00 0.00 0.00 19.45 18.08 2jqa n ALA 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jqa s VAL 38 N -0.51 0.00 0.58 0.00 0.11 -0.23 -4.93 120.40 115.42 2jqa s VAL 38 Ca 0.74 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.65 2jqa s VAL 38 Cb -0.99 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 32.81 2jqa s VAL 38 CO 0.56 0.00 1.02 -2.16 -3.33 0.00 0.00 175.10 171.19 2jqa s PRO 39 N -1.88 3.59 0.48 1.54 0.04 -1.25 -3.82 135.00 133.69 2jqa s PRO 39 Ca -0.06 0.95 -0.23 0.00 0.04 0.00 0.00 61.00 61.69 2jqa s PRO 39 Cb -0.00 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 2jqa s PRO 39 CO 0.02 -0.57 1.31 -1.25 0.04 0.00 0.00 177.00 176.55 2jqa s PRO 40 N -4.52 3.56 0.00 0.56 0.04 -1.26 -2.48 135.00 130.90 2jqa s PRO 40 Ca 0.59 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.76 2jqa s PRO 40 Cb -0.12 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2jqa s PRO 40 CO 0.42 -0.82 0.00 0.45 0.04 0.00 0.00 177.00 177.09 2jqa n SER 41 N -0.51 0.00 -4.93 6.66 2.88 -1.26 -5.07 113.62 111.39 2jqa n SER 41 Ca 0.07 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.36 2jqa n SER 41 Cb 0.45 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.89 2jqa n SER 41 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2jqa s ILE 42 N -2.55 5.15 0.00 2.46 -1.09 -1.04 -5.05 121.20 119.09 2jqa s ILE 42 Ca 0.00 -0.40 0.00 0.00 -2.23 0.00 0.00 60.65 58.02 2jqa s ILE 42 Cb 0.00 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 2jqa s ILE 42 CO 0.00 -0.33 0.33 -2.11 -1.23 0.00 0.00 174.94 171.60 2jqa n ARG 43 N -1.12 0.00 -4.21 2.79 1.85 -1.26 -4.75 116.66 109.95 2jqa n ARG 43 Ca -0.05 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.48 2jqa n ARG 43 Cb 0.55 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.80 2jqa n ARG 43 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2jqa s ASP 44 N 0.00 3.10 0.03 2.89 1.01 -1.26 -0.55 116.67 121.88 2jqa s ASP 44 Ca 0.00 -0.63 0.01 0.00 0.71 0.00 0.00 52.55 52.64 2jqa s ASP 44 Cb 0.00 -1.45 -0.02 0.00 1.01 0.00 0.00 42.92 42.46 2jqa s ASP 44 CO 0.00 0.01 -0.05 0.42 0.21 0.00 0.00 175.17 175.76 2jqa s THR 45 N 1.22 0.32 -0.00 -1.27 -4.23 -1.17 -5.04 115.64 105.47 2jqa s THR 45 Ca 0.03 -0.87 0.06 0.00 -1.18 0.00 0.00 61.69 59.73 2jqa s THR 45 Cb -0.13 -0.41 -0.03 0.00 1.34 0.00 0.00 72.50 73.27 2jqa s THR 45 CO -0.11 -0.36 -0.18 0.00 -0.54 0.00 0.00 174.62 173.43 2jqa s ALA 46 N -1.22 2.54 -0.14 3.99 0.00 -1.26 -1.28 121.76 124.40 2jqa s ALA 46 Ca -0.11 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.77 2jqa s ALA 46 Cb -0.09 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.26 2jqa s ALA 46 CO -0.00 0.56 -0.17 0.00 0.00 0.00 0.00 175.76 176.15 2jqa s ALA 47 N -0.80 1.96 0.40 0.00 0.00 -0.79 -0.48 121.76 122.05 2jqa s ALA 47 Ca 0.13 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.22 2jqa s ALA 47 Cb -0.10 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 2jqa s ALA 47 CO 0.02 -0.24 0.22 0.71 0.00 0.00 0.00 175.76 176.48 2jqa s TYR 48 N 1.21 2.66 0.00 0.00 1.51 -1.00 -3.86 117.35 117.88 2jqa s TYR 48 Ca -0.00 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 2jqa s TYR 48 Cb -0.14 -1.94 0.00 0.00 -0.11 0.00 0.00 41.96 39.77 2jqa s TYR 48 CO -0.07 0.14 0.00 -1.33 -1.11 0.00 0.00 175.55 173.18 2jqa n MET 49 N -1.30 -0.28 -3.66 -0.62 2.81 0.02 -0.51 117.12 113.59 2jqa n MET 49 Ca -0.00 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.83 2jqa n MET 49 Cb 0.63 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 33.07 2jqa n MET 49 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2jqa s THR 50 N -2.00 -0.72 -0.10 2.03 -1.32 -1.26 -0.61 115.64 111.66 2jqa s THR 50 Ca 0.00 0.10 -0.15 0.00 -1.21 0.00 0.00 61.69 60.43 2jqa s THR 50 Cb 0.00 -0.80 0.03 0.00 -1.51 0.00 0.00 72.50 70.22 2jqa s THR 50 CO 0.00 0.04 0.38 -0.76 -2.21 0.00 0.00 174.62 172.07 2jqa s LEU 51 N 2.62 0.56 -0.08 9.08 1.43 -1.26 -4.90 118.68 126.14 2jqa s LEU 51 Ca -0.04 0.54 -0.32 0.00 -1.03 0.00 0.00 54.13 53.28 2jqa s LEU 51 Cb -0.12 1.38 0.12 0.00 0.03 0.00 0.00 46.19 47.60 2jqa s LEU 51 CO -0.15 -0.27 1.11 0.28 0.23 0.00 0.00 176.35 177.54 2jqa s THR 52 N -0.41 0.00 0.21 5.49 -1.32 -0.80 -1.28 115.64 117.53 2jqa s THR 52 Ca -0.05 -0.09 -0.30 0.00 -1.21 0.00 0.00 61.69 60.03 2jqa s THR 52 Cb -0.03 -1.24 -0.08 0.00 -1.51 0.00 0.00 72.50 69.63 2jqa s THR 52 CO 0.02 0.00 0.99 0.20 -2.21 0.00 0.00 174.62 173.62 2jqa s ASN 53 N -2.45 7.51 -0.43 8.08 0.01 -1.19 -4.16 114.94 122.30 2jqa s ASN 53 Ca 0.09 1.98 0.05 0.00 -0.71 0.00 0.00 52.86 54.27 2jqa s ASN 53 Cb -0.00 -2.61 0.42 0.00 0.41 0.00 0.00 41.25 39.47 2jqa s ASN 53 CO -0.05 0.02 1.15 1.17 -1.51 0.00 0.00 177.10 177.87 2jqa n LYS 54 N 1.86 3.43 0.00 -0.60 4.81 -1.26 -4.23 118.16 122.16 2jqa n LYS 54 Ca -0.00 -4.43 0.00 0.00 -0.87 0.00 0.00 58.31 53.00 2jqa n LYS 54 Cb 0.47 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.27 2jqa n LYS 54 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2jqa n SER 55 N -0.51 0.00 -4.19 3.14 7.64 -1.26 -5.09 113.62 113.34 2jqa n SER 55 Ca 0.40 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.87 2jqa n SER 55 Cb 0.69 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.87 2jqa n SER 55 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jqa n ASP 56 N 0.00 4.15 -3.55 6.43 8.00 -1.26 -4.41 116.55 125.90 2jqa n ASP 56 Ca 0.00 -2.85 -0.16 0.00 0.71 0.00 0.00 54.79 52.50 2jqa n ASP 56 Cb 0.00 -1.66 -0.13 0.00 -0.02 0.00 0.00 41.12 39.31 2jqa n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jqa s GLN 57 N 4.18 0.18 0.49 -1.24 -2.07 -1.26 -5.06 119.66 114.87 2jqa s GLN 57 Ca 0.53 0.45 0.08 0.00 -1.82 0.00 0.00 55.36 54.60 2jqa s GLN 57 Cb 0.08 -0.66 0.04 0.00 -1.09 0.00 0.00 33.01 31.38 2jqa s GLN 57 CO 0.03 -0.50 0.67 -1.25 -1.32 0.00 0.00 175.29 172.92 2jqa s PRO 58 N 2.38 2.60 0.26 9.60 0.04 -1.26 -3.86 135.00 144.75 2jqa s PRO 58 Ca 0.05 -1.33 -0.18 0.00 0.04 0.00 0.00 61.00 59.58 2jqa s PRO 58 Cb -0.14 -2.69 0.01 0.00 0.04 0.00 0.00 34.50 31.72 2jqa s PRO 58 CO -0.11 -0.54 0.61 -1.50 0.04 0.00 0.00 177.00 175.50 2jqa s ILE 59 N -2.51 0.00 -0.42 0.56 1.10 -1.16 -4.94 121.20 113.83 2jqa s ILE 59 Ca 0.58 -1.12 0.09 0.00 -0.51 0.00 0.00 60.65 59.68 2jqa s ILE 59 Cb -0.08 -2.03 0.31 0.00 0.15 0.00 0.00 42.46 40.81 2jqa s ILE 59 CO 0.36 -0.01 0.86 2.29 -2.11 0.00 0.00 174.94 176.33 2jqa n LYS 60 N -0.42 0.93 -3.84 3.50 2.85 -1.26 -3.36 118.16 116.56 2jqa n LYS 60 Ca -0.04 -2.63 -0.22 0.00 -1.05 0.00 0.00 58.31 54.37 2jqa n LYS 60 Cb 0.60 -1.37 -0.05 0.00 -0.65 0.00 0.00 35.03 33.57 2jqa n LYS 60 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2jqa s LEU 61 N -1.98 3.29 0.00 -5.58 1.02 -1.26 -2.60 118.68 111.57 2jqa s LEU 61 Ca 0.32 -0.85 0.28 0.00 0.02 0.00 0.00 54.13 53.90 2jqa s LEU 61 Cb 0.29 -1.81 0.97 0.00 0.02 0.00 0.00 46.19 45.66 2jqa s LEU 61 CO -0.10 -0.55 1.70 1.33 0.02 0.00 0.00 176.35 178.75 2jqa n VAL 62 N -1.38 0.00 0.00 -1.59 0.24 0.56 -0.34 118.33 115.83 2jqa n VAL 62 Ca 0.01 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 2jqa n VAL 62 Cb 0.63 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 2jqa n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jqa n GLY 63 N 1.22 -2.08 3.87 7.63 0.00 -1.24 -2.05 105.19 112.54 2jqa n GLY 63 Ca 0.17 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 2jqa n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqa s ALA 64 N -1.45 3.66 0.00 4.61 0.00 -1.26 -3.47 121.76 123.85 2jqa s ALA 64 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2jqa s ALA 64 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.77 2jqa s ALA 64 CO 0.00 0.54 0.00 0.00 0.00 0.00 0.00 175.76 176.30 2jqa n ALA 65 N 0.57 0.00 0.00 0.00 0.00 -0.16 -4.86 120.51 116.06 2jqa n ALA 65 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2jqa n ALA 65 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2jqa n ALA 65 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2jqa n THR 66 N 0.00 0.00 1.26 0.00 5.66 -1.25 -0.98 114.28 118.97 2jqa n THR 66 Ca 0.00 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.14 2jqa n THR 66 Cb 0.00 0.00 0.57 0.00 -1.55 0.00 0.00 70.33 69.35 2jqa n THR 66 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2jqa n PRO 67 N -0.05 0.42 0.08 1.09 -0.04 -1.26 -4.39 135.00 130.86 2jqa n PRO 67 Ca 0.00 -0.13 -0.10 0.00 -0.04 0.00 0.00 63.50 63.22 2jqa n PRO 67 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 2jqa n PRO 67 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2jqa h LEU 68 N 0.33 0.21 -9.61 1.53 -0.00 -1.97 -3.42 115.31 102.38 2jqa h LEU 68 Ca 0.00 -0.21 -0.52 0.00 -0.00 0.00 0.00 57.88 57.16 2jqa h LEU 68 Cb 0.40 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 2jqa h LEU 68 CO 0.00 1.11 0.42 0.00 -0.00 0.00 0.00 178.44 179.98 2jqa s ALA 69 N -2.84 3.31 0.27 1.53 0.00 -1.26 -4.62 121.76 118.15 2jqa s ALA 69 Ca -0.02 0.70 -0.04 0.00 0.00 0.00 0.00 51.96 52.61 2jqa s ALA 69 Cb 0.09 -3.32 0.34 0.00 0.00 0.00 0.00 23.12 20.23 2jqa s ALA 69 CO 0.84 -0.12 1.87 1.79 0.00 0.00 0.00 175.76 180.14 2jqa h THR 70 N 3.89 1.23 -3.60 0.00 1.35 -0.80 -3.32 112.91 111.66 2jqa h THR 70 Ca -0.44 -0.65 -0.64 0.00 -0.55 0.00 0.00 66.41 64.14 2jqa h THR 70 Cb 1.21 0.29 -0.39 0.00 -1.73 0.00 0.00 68.15 67.52 2jqa h THR 70 CO 0.72 0.28 -0.74 -0.55 -0.25 0.00 0.00 175.52 174.97 2jqa s SER 71 N -6.40 4.47 -0.16 5.36 0.15 -0.56 -5.05 113.70 111.51 2jqa s SER 71 Ca -0.11 -1.84 -0.29 0.00 0.70 0.00 0.00 55.95 54.40 2jqa s SER 71 Cb 0.16 -1.41 -0.01 0.00 -1.71 0.00 0.00 66.02 63.05 2jqa s SER 71 CO 0.81 -0.35 1.23 -2.16 1.20 0.00 0.00 173.24 173.98 2jqa s PRO 72 N 1.13 4.25 -0.45 5.44 0.04 -1.25 -1.61 135.00 142.54 2jqa s PRO 72 Ca 0.06 1.63 0.03 0.00 0.04 0.00 0.00 61.00 62.77 2jqa s PRO 72 Cb -0.19 -3.73 0.12 0.00 0.04 0.00 0.00 34.50 30.74 2jqa s PRO 72 CO -0.11 -0.67 0.19 1.41 0.04 0.00 0.00 177.00 177.86 2jqa s MET 73 N 3.32 1.84 -0.14 4.56 1.75 -0.38 -5.01 119.30 125.24 2jqa s MET 73 Ca 0.54 -2.30 -0.07 0.00 -1.25 0.00 0.00 55.69 52.61 2jqa s MET 73 Cb -0.21 -3.32 -0.04 0.00 2.84 0.00 0.00 34.83 34.09 2jqa s MET 73 CO 0.15 -1.05 0.09 -0.48 -0.65 0.00 0.00 175.02 173.08 2jqa s LEU 74 N 0.24 4.06 -0.11 4.11 2.34 -1.26 -0.65 118.68 127.40 2jqa s LEU 74 Ca 0.14 0.27 -0.33 0.00 0.06 0.00 0.00 54.13 54.28 2jqa s LEU 74 Cb -0.23 -2.00 0.13 0.00 -0.56 0.00 0.00 46.19 43.53 2jqa s LEU 74 CO -0.03 0.31 1.16 0.00 -1.06 0.00 0.00 176.35 176.73 2jqa s MET 75 N -0.45 0.44 -0.30 1.48 0.23 -1.25 -4.59 119.30 114.87 2jqa s MET 75 Ca 0.11 -0.19 -0.38 0.00 -1.03 0.00 0.00 55.69 54.20 2jqa s MET 75 Cb -0.12 0.19 0.16 0.00 -1.53 0.00 0.00 34.83 33.53 2jqa s MET 75 CO 0.02 -0.20 1.40 -0.08 -2.03 0.00 0.00 175.02 174.13 2jqa s THR 76 N -2.57 0.00 0.00 3.16 -1.32 -0.97 -2.60 115.64 111.34 2jqa s THR 76 Ca 0.10 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 2jqa s THR 76 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2jqa s THR 76 CO -0.05 0.00 0.00 0.35 -2.21 0.00 0.00 174.62 172.71 2jqa n THR 77 N 0.03 0.00 0.00 5.08 -2.24 0.63 -4.10 114.28 113.68 2jqa n THR 77 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2jqa n THR 77 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 2jqa n THR 77 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jqa n THR 78 N 0.00 0.00 -1.36 4.28 -2.24 -0.67 -2.50 114.28 111.79 2jqa n THR 78 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 2jqa n THR 78 Cb 0.00 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.31 2jqa n THR 78 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jqa n HIS 79 N 12.55 3.22 -1.94 4.78 1.44 -1.26 -2.63 115.22 131.37 2jqa n HIS 79 Ca 0.00 -3.00 -0.42 0.00 -2.01 0.00 0.00 57.72 52.29 2jqa n HIS 79 Cb 0.00 -1.40 0.00 0.00 0.12 0.00 0.00 29.99 28.71 2jqa n HIS 79 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2jqa n SER 80 N -0.91 4.18 -1.06 4.39 7.64 -1.04 -4.55 113.62 122.27 2jqa n SER 80 Ca 0.62 -2.89 -0.01 0.00 1.01 0.00 0.00 58.87 57.61 2jqa n SER 80 Cb 0.68 -1.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 2jqa n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jqa n GLY 81 N 4.10 0.46 0.00 0.23 0.00 -1.20 -4.10 105.19 104.68 2jqa n GLY 81 Ca 0.50 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2jqa n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jqa n GLY 82 N -0.96 0.86 3.86 -0.02 0.00 -1.26 -4.67 105.19 102.99 2jqa n GLY 82 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2jqa n GLY 82 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jqa s MET 83 N -0.89 2.53 -0.43 1.61 0.00 -1.26 -5.11 119.30 115.76 2jqa s MET 83 Ca 0.00 -1.52 0.05 0.00 0.00 0.00 0.00 55.69 54.22 2jqa s MET 83 Cb 0.00 -2.36 0.31 0.00 0.00 0.00 0.00 34.83 32.79 2jqa s MET 83 CO 0.00 -0.13 1.18 0.00 0.00 0.00 0.00 175.02 176.06 2jqa n ALA 84 N -1.48 -1.47 -3.00 4.11 0.00 -1.08 -4.18 120.51 113.41 2jqa n ALA 84 Ca 0.02 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2jqa n ALA 84 Cb 0.62 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2jqa n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jqa n GLY 85 N 0.52 5.08 3.16 0.00 0.00 -1.22 -4.96 105.19 107.76 2jqa n GLY 85 Ca 0.03 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 2jqa n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jqa s MET 86 N 1.46 0.32 -1.24 1.61 -2.45 -1.26 -1.66 119.30 116.07 2jqa s MET 86 Ca 0.00 0.43 -0.06 0.00 -1.25 0.00 0.00 55.69 54.80 2jqa s MET 86 Cb 0.00 0.12 0.01 0.00 1.25 0.00 0.00 34.83 36.21 2jqa s MET 86 CO 0.00 -0.06 0.82 1.17 1.05 0.00 0.00 175.02 178.00 2jqa n LYS 87 N 3.14 -5.81 -3.11 4.11 3.00 -1.26 -5.03 118.16 113.20 2jqa n LYS 87 Ca -0.15 0.75 -0.20 0.00 -0.00 0.00 0.00 58.31 58.71 2jqa n LYS 87 Cb 0.57 -5.41 0.06 0.00 0.00 0.00 0.00 35.03 30.25 2jqa n LYS 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2jqa s MET 88 N -5.89 2.31 0.57 1.64 -1.94 -1.26 -4.97 119.30 109.76 2jqa s MET 88 Ca 0.41 -1.67 -0.18 0.00 -1.71 0.00 0.00 55.69 52.54 2jqa s MET 88 Cb -0.18 -2.60 -0.08 0.00 2.01 0.00 0.00 34.83 33.98 2jqa s MET 88 CO 0.50 -0.84 0.60 1.33 -0.01 0.00 0.00 175.02 176.61 2jqa n VAL 89 N -2.20 2.52 0.60 -6.03 0.24 -1.26 -2.29 118.33 109.91 2jqa n VAL 89 Ca 0.14 -0.50 0.13 0.00 -2.04 0.00 0.00 64.34 62.07 2jqa n VAL 89 Cb 0.62 -0.76 0.43 0.00 -1.47 0.00 0.00 33.84 32.66 2jqa n VAL 89 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2jqa n PRO 90 N -0.22 0.24 -1.11 7.34 -0.04 -1.26 -4.01 135.00 135.93 2jqa n PRO 90 Ca 0.12 0.25 0.11 0.00 -0.04 0.00 0.00 63.50 63.94 2jqa n PRO 90 Cb 0.47 -1.81 -0.06 0.00 -0.04 0.00 0.00 33.50 32.07 2jqa n PRO 90 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2jqa n TRP 91 N -2.23 -2.48 0.01 0.54 2.14 -0.87 -4.70 117.44 109.85 2jqa n TRP 91 Ca 0.05 1.37 0.00 0.00 2.07 0.00 0.00 57.50 60.99 2jqa n TRP 91 Cb 0.39 -2.26 0.00 0.00 -0.81 0.00 0.00 31.31 28.63 2jqa n TRP 91 CO 0.00 0.00 0.00 -0.11 2.07 0.00 0.00 177.69 179.65 2jqa n LEU 92 N -3.84 1.19 -3.43 5.67 7.94 0.54 -3.66 117.00 121.42 2jqa n LEU 92 Ca -0.06 -1.16 -0.35 0.00 -1.11 0.00 0.00 56.01 53.33 2jqa n LEU 92 Cb 0.46 -0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.38 2jqa n LEU 92 CO 0.02 0.29 2.59 0.41 -1.11 0.00 0.00 177.39 179.60 2jqa n THR 93 N -0.06 2.89 -1.59 1.96 -1.04 -1.21 -4.49 114.28 110.75 2jqa n THR 93 Ca 0.00 -2.04 -0.48 0.00 -2.04 0.00 0.00 64.05 59.49 2jqa n THR 93 Cb 0.05 -2.38 -0.05 0.00 -1.82 0.00 0.00 70.33 66.13 2jqa n THR 93 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 2jqa n ILE 94 N 4.70 0.40 -0.68 12.58 -5.35 -1.21 -4.87 119.36 124.92 2jqa n ILE 94 Ca 0.55 -0.22 -0.06 0.00 -0.27 0.00 0.00 62.75 62.75 2jqa n ILE 94 Cb 0.27 -1.93 -0.08 0.00 -1.74 0.00 0.00 39.64 36.16 2jqa n ILE 94 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2jqa n PRO 95 N 7.53 1.36 0.00 6.28 -0.04 -1.26 -2.97 135.00 145.90 2jqa n PRO 95 Ca 0.30 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2jqa n PRO 95 Cb 0.30 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 2jqa n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jqa n ALA 96 N 2.09 0.00 -0.81 0.55 0.00 -1.25 -4.13 120.51 116.97 2jqa n ALA 96 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.56 2jqa n ALA 96 Cb 0.64 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.02 2jqa n ALA 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jqa n ARG 97 N 0.00 1.58 0.00 0.00 1.74 -1.26 -4.26 116.66 114.46 2jqa n ARG 97 Ca 0.00 -0.69 0.00 0.00 -0.77 0.00 0.00 57.85 56.39 2jqa n ARG 97 Cb 0.00 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 2jqa n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jqa n GLY 98 N 1.82 3.67 2.92 -0.13 0.00 -1.26 -5.06 105.19 107.16 2jqa n GLY 98 Ca 0.24 -2.01 -0.08 0.00 0.00 0.00 0.00 46.02 44.16 2jqa n GLY 98 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jqa s THR 99 N 1.83 -0.64 -1.00 2.61 -1.32 -1.26 -4.62 115.64 111.23 2jqa s THR 99 Ca 0.00 -0.17 -0.17 0.00 -1.21 0.00 0.00 61.69 60.14 2jqa s THR 99 Cb 0.00 -0.90 0.16 0.00 -1.51 0.00 0.00 72.50 70.24 2jqa s THR 99 CO 0.00 -0.19 1.18 -0.22 -2.21 0.00 0.00 174.62 173.17 2jqa s LEU 100 N 2.56 5.26 0.57 9.08 2.96 -1.26 -3.26 118.68 134.59 2jqa s LEU 100 Ca 0.12 -2.42 -0.13 0.00 -0.22 0.00 0.00 54.13 51.48 2jqa s LEU 100 Cb -0.14 -2.37 -0.06 0.00 0.50 0.00 0.00 46.19 44.12 2jqa s LEU 100 CO -0.23 -0.90 1.00 -0.89 -1.32 0.00 0.00 176.35 174.01 2jqa s THR 101 N 2.00 4.65 -0.48 3.68 2.01 -1.26 -4.01 115.64 122.24 2jqa s THR 101 Ca 0.34 0.98 0.06 0.00 0.31 0.00 0.00 61.69 63.38 2jqa s THR 101 Cb -0.05 -3.81 0.18 0.00 0.01 0.00 0.00 72.50 68.83 2jqa s THR 101 CO -0.07 -0.95 0.59 -0.76 -0.69 0.00 0.00 174.62 172.74 2jqa s LEU 102 N -4.71 -0.56 0.10 4.42 1.43 0.22 -4.87 118.68 114.71 2jqa s LEU 102 Ca 0.56 -2.07 -0.09 0.00 -1.03 0.00 0.00 54.13 51.50 2jqa s LEU 102 Cb -0.11 1.16 -0.00 0.00 0.03 0.00 0.00 46.19 47.27 2jqa s LEU 102 CO 0.45 -0.10 0.21 -1.10 0.23 0.00 0.00 176.35 176.03 2jqa s GLN 103 N 0.71 0.90 0.51 1.70 -0.21 -1.10 -0.80 119.66 121.37 2jqa s GLN 103 Ca 0.30 -0.99 0.23 0.00 0.02 0.00 0.00 55.36 54.91 2jqa s GLN 103 Cb 0.00 0.35 1.38 0.00 1.00 0.00 0.00 33.01 35.74 2jqa s GLN 103 CO -0.09 -0.30 2.09 -0.09 -2.12 0.00 0.00 175.29 174.78 2jqa h ARG 104 N 2.71 0.00 0.00 2.91 2.43 -1.99 0.24 114.38 120.67 2jqa h ARG 104 Ca -0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2jqa h ARG 104 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2jqa h ARG 104 CO 0.55 0.11 0.00 -0.25 -1.51 0.00 0.00 179.97 178.86 2jqa n ASP 105 N -3.96 0.00 0.00 -3.80 8.00 -1.26 -2.89 116.55 112.64 2jqa n ASP 105 Ca -0.02 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.63 2jqa n ASP 105 Cb 0.20 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 2jqa n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jqa n GLY 106 N -0.71 0.78 0.00 0.44 0.00 -0.17 -4.78 105.19 100.75 2jqa n GLY 106 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2jqa n GLY 106 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jqa n ASP 107 N -0.18 0.00 -4.01 1.61 -0.08 0.65 -0.27 116.55 114.27 2jqa n ASP 107 Ca 0.00 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.19 2jqa n ASP 107 Cb 0.06 0.18 -0.06 0.00 2.34 0.00 0.00 41.12 43.65 2jqa n ASP 107 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 2jqa s HIS 108 N -3.15 0.41 0.04 -0.67 -3.43 -1.07 -2.72 115.29 104.69 2jqa s HIS 108 Ca 0.00 -0.77 -0.26 0.00 -0.80 0.00 0.00 55.06 53.24 2jqa s HIS 108 Cb 0.00 0.14 -0.05 0.00 -1.43 0.00 0.00 32.58 31.23 2jqa s HIS 108 CO 0.00 -0.97 0.79 0.54 -2.00 0.00 0.00 174.74 173.10 2jqa s VAL 109 N -4.03 4.74 -0.00 -5.38 0.11 -1.21 -3.76 120.40 110.88 2jqa s VAL 109 Ca 0.23 1.67 0.07 0.00 -2.93 0.00 0.00 61.98 61.03 2jqa s VAL 109 Cb -0.00 -4.14 -0.02 0.00 -1.53 0.00 0.00 36.38 30.69 2jqa s VAL 109 CO 0.09 0.34 -0.21 -0.32 -3.33 0.00 0.00 175.10 171.67 2jqa s MET 110 N 0.07 1.61 -0.94 1.54 0.00 0.17 -1.89 119.30 119.86 2jqa s MET 110 Ca 0.40 -0.79 -0.03 0.00 0.00 0.00 0.00 55.69 55.27 2jqa s MET 110 Cb -0.21 -1.60 0.25 0.00 0.00 0.00 0.00 34.83 33.27 2jqa s MET 110 CO 0.23 0.43 0.94 1.28 0.00 0.00 0.00 175.02 177.91 2jqa n LEU 111 N 2.39 4.72 -4.72 4.11 4.77 -0.40 -1.25 117.00 126.62 2jqa n LEU 111 Ca -0.16 -5.16 -0.40 0.00 -0.03 0.00 0.00 56.01 50.26 2jqa n LEU 111 Cb 0.53 -1.15 -0.04 0.00 -2.33 0.00 0.00 43.42 40.42 2jqa n LEU 111 CO 0.23 1.59 0.50 -0.32 -1.33 0.00 0.00 177.39 178.07 2jqa s MET 112 N -1.67 4.50 -1.02 3.23 1.75 -0.64 -3.04 119.30 122.40 2jqa s MET 112 Ca 0.30 1.09 -0.09 0.00 -1.25 0.00 0.00 55.69 55.75 2jqa s MET 112 Cb -0.04 -3.42 -0.04 0.00 2.84 0.00 0.00 34.83 34.16 2jqa s MET 112 CO -0.08 0.10 0.85 0.41 -0.65 0.00 0.00 175.02 175.66 2jqa n GLY 113 N 2.82 -1.14 0.00 2.11 0.00 -1.24 -1.49 105.19 106.25 2jqa n GLY 113 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.57 2jqa n GLY 113 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jqa n LEU 114 N -3.23 0.00 0.00 0.99 7.94 0.29 -1.15 117.00 121.83 2jqa n LEU 114 Ca -0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 2jqa n LEU 114 Cb 0.60 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.55 2jqa n LEU 114 CO 0.60 -0.16 0.00 2.29 -1.11 0.00 0.00 177.39 179.01 2jqa n LYS 115 N 0.00 0.00 -2.41 1.96 2.85 -1.26 -4.88 118.16 114.42 2jqa n LYS 115 Ca 0.00 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.85 2jqa n LYS 115 Cb 0.00 -0.03 -0.04 0.00 -0.65 0.00 0.00 35.03 34.31 2jqa n LYS 115 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 2jqa s ARG 116 N -1.03 4.55 0.65 -1.58 3.52 -1.26 -4.88 118.95 118.92 2jqa s ARG 116 Ca 0.00 1.86 -0.14 0.00 -0.13 0.00 0.00 55.73 57.31 2jqa s ARG 116 Cb 0.00 -3.21 -0.01 0.00 -1.56 0.00 0.00 34.95 30.17 2jqa s ARG 116 CO 0.00 0.05 1.08 -1.25 -0.81 0.00 0.00 175.30 174.37 2jqa s PRO 117 N -0.88 2.97 -0.07 5.12 0.04 -1.26 -4.98 135.00 135.94 2jqa s PRO 117 Ca 0.49 1.23 -0.03 0.00 0.04 0.00 0.00 61.00 62.73 2jqa s PRO 117 Cb -0.33 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.27 2jqa s PRO 117 CO 0.40 -1.09 0.15 -0.51 0.04 0.00 0.00 177.00 175.99 2jqa s LEU 118 N -4.92 0.76 0.35 -3.56 1.43 -1.25 -5.05 118.68 106.44 2jqa s LEU 118 Ca 0.64 0.31 0.09 0.00 -1.03 0.00 0.00 54.13 54.14 2jqa s LEU 118 Cb -0.17 0.39 -0.07 0.00 0.03 0.00 0.00 46.19 46.37 2jqa s LEU 118 CO 0.43 -0.14 -0.08 -1.59 0.23 0.00 0.00 176.35 175.20 2jqa s LYS 119 N 1.10 1.83 0.00 1.70 -2.85 -1.26 -1.07 119.74 119.18 2jqa s LYS 119 Ca -0.08 -1.96 0.00 0.00 -1.00 0.00 0.00 55.97 52.93 2jqa s LYS 119 Cb -0.11 -1.67 0.00 0.00 -2.06 0.00 0.00 37.83 33.99 2jqa s LYS 119 CO -0.06 0.11 0.23 1.33 0.10 0.00 0.00 175.35 177.06 2jqa n VAL 120 N -0.81 0.00 -0.46 1.79 0.24 -1.26 -1.29 118.33 116.55 2jqa n VAL 120 Ca -0.05 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.28 2jqa n VAL 120 Cb 0.64 -0.76 0.04 0.00 -1.47 0.00 0.00 33.84 32.29 2jqa n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jqa n GLY 121 N -0.70 2.90 3.71 7.63 0.00 -1.20 -4.31 105.19 113.22 2jqa n GLY 121 Ca 0.00 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 2jqa n GLY 121 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jqa s GLU 122 N -1.39 2.66 -0.11 1.61 2.12 -0.41 -4.97 118.70 118.22 2jqa s GLU 122 Ca 0.09 -0.78 -0.03 0.00 0.36 0.00 0.00 54.97 54.61 2jqa s GLU 122 Cb 0.08 -2.60 -0.03 0.00 0.26 0.00 0.00 34.13 31.83 2jqa s GLU 122 CO 0.01 0.55 0.01 0.99 -0.54 0.00 0.00 175.26 176.28 2jqa s THR 123 N -1.32 4.34 0.05 -1.70 2.01 -1.26 -0.37 115.64 117.39 2jqa s THR 123 Ca 0.26 -0.23 0.09 0.00 0.31 0.00 0.00 61.69 62.13 2jqa s THR 123 Cb -0.12 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 2jqa s THR 123 CO 0.19 0.57 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.74 2jqa s VAL 124 N -0.57 2.20 -0.31 3.82 1.01 0.10 -4.96 120.40 121.68 2jqa s VAL 124 Ca 0.10 -1.41 -0.16 0.00 0.00 0.00 0.00 61.98 60.50 2jqa s VAL 124 Cb -0.12 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 2jqa s VAL 124 CO 0.02 0.34 0.43 0.20 0.00 0.00 0.00 175.10 176.09 2jqa s ASN 125 N -1.33 6.28 0.09 3.32 0.02 -1.26 -1.13 114.94 120.93 2jqa s ASN 125 Ca 0.12 0.08 0.03 0.00 -1.02 0.00 0.00 52.86 52.08 2jqa s ASN 125 Cb -0.10 -2.23 -0.04 0.00 0.02 0.00 0.00 41.25 38.90 2jqa s ASN 125 CO 0.03 -0.33 -0.10 -0.63 0.02 0.00 0.00 177.10 176.09 2jqa s ILE 126 N 2.19 0.90 -0.16 0.60 -1.09 -0.46 -4.92 121.20 118.26 2jqa s ILE 126 Ca 0.16 -1.63 -0.04 0.00 -2.23 0.00 0.00 60.65 56.91 2jqa s ILE 126 Cb -0.16 -1.34 0.08 0.00 -1.58 0.00 0.00 42.46 39.46 2jqa s ILE 126 CO 0.11 -0.57 0.24 -0.89 -1.23 0.00 0.00 174.94 172.60 2jqa s THR 127 N -2.46 -0.36 0.63 2.92 2.01 -0.15 -0.47 115.64 117.75 2jqa s THR 127 Ca 0.05 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.18 2jqa s THR 127 Cb -0.03 -0.53 0.08 0.00 0.01 0.00 0.00 72.50 72.03 2jqa s THR 127 CO -0.00 -0.02 0.87 -0.76 -0.69 0.00 0.00 174.62 174.02 2jqa s LEU 128 N 2.37 3.13 -0.04 4.42 1.02 -0.03 -0.99 118.68 128.56 2jqa s LEU 128 Ca 0.04 -0.30 0.02 0.00 0.02 0.00 0.00 54.13 53.92 2jqa s LEU 128 Cb -0.14 -2.29 0.01 0.00 0.02 0.00 0.00 46.19 43.79 2jqa s LEU 128 CO -0.10 -1.49 -0.09 -0.54 0.02 0.00 0.00 176.35 174.15 2jqa s LYS 129 N -4.91 1.18 0.42 1.70 1.02 -1.23 -0.56 119.74 117.36 2jqa s LYS 129 Ca 0.62 -0.30 -0.25 0.00 0.02 0.00 0.00 55.97 56.06 2jqa s LYS 129 Cb -0.07 -1.06 -0.08 0.00 -0.52 0.00 0.00 37.83 36.10 2jqa s LYS 129 CO 0.41 0.05 1.18 0.00 -0.92 0.00 0.00 175.35 176.07 2jqa s ALA 130 N 0.48 3.11 -0.23 5.17 0.00 0.38 -0.32 121.76 130.35 2jqa s ALA 130 Ca -0.09 0.99 0.27 0.00 0.00 0.00 0.00 51.96 53.13 2jqa s ALA 130 Cb -0.12 -3.39 1.20 0.00 0.00 0.00 0.00 23.12 20.81 2jqa s ALA 130 CO 0.01 -0.61 1.80 0.00 0.00 0.00 0.00 175.76 176.97 2jqa h THR 131 N 2.20 0.00 -0.15 0.00 1.03 -1.79 -3.23 112.91 110.97 2jqa h THR 131 Ca -0.49 -0.22 -0.25 0.00 -0.01 0.00 0.00 66.41 65.44 2jqa h THR 131 Cb 1.24 0.97 -0.17 0.00 -1.07 0.00 0.00 68.15 69.12 2jqa h THR 131 CO 0.62 0.00 -0.48 -0.67 -0.01 0.00 0.00 175.52 174.98 2jqa n ASP 132 N -2.46 -1.94 0.00 0.00 2.03 -1.26 -5.04 116.55 107.87 2jqa n ASP 132 Ca 0.01 -3.31 0.00 0.00 0.52 0.00 0.00 54.79 52.01 2jqa n ASP 132 Cb 0.19 1.47 0.00 0.00 -0.72 0.00 0.00 41.12 42.06 2jqa n ASP 132 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jqa n GLY 133 N 0.09 -0.00 3.74 0.27 0.00 -1.22 -5.20 105.19 102.87 2jqa n GLY 133 Ca 0.05 0.29 -0.01 0.00 0.00 0.00 0.00 46.02 46.34 2jqa n GLY 133 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jqa s ARG 134 N 0.54 0.92 0.33 1.61 0.52 -1.26 -4.95 118.95 116.66 2jqa s ARG 134 Ca 0.00 -0.53 -0.28 0.00 -0.52 0.00 0.00 55.73 54.40 2jqa s ARG 134 Cb 0.00 0.30 -0.09 0.00 0.52 0.00 0.00 34.95 35.68 2jqa s ARG 134 CO 0.00 -0.42 1.15 0.99 0.02 0.00 0.00 175.30 177.03 2jqa s THR 135 N -2.80 3.30 -0.16 0.02 2.01 -1.26 -0.47 115.64 116.28 2jqa s THR 135 Ca 0.15 1.23 -0.05 0.00 0.31 0.00 0.00 61.69 63.32 2jqa s THR 135 Cb 0.01 -3.75 0.08 0.00 0.01 0.00 0.00 72.50 68.84 2jqa s THR 135 CO 0.01 0.23 0.31 -0.22 -0.69 0.00 0.00 174.62 174.26 2jqa s LEU 136 N -1.85 -0.42 -0.28 4.42 0.20 0.27 -4.95 118.68 116.08 2jqa s LEU 136 Ca 0.49 0.69 -0.29 0.00 0.69 0.00 0.00 54.13 55.71 2jqa s LEU 136 Cb -0.32 0.91 -0.00 0.00 -0.43 0.00 0.00 46.19 46.35 2jqa s LEU 136 CO 0.41 -0.24 1.30 0.54 -0.29 0.00 0.00 176.35 178.07 2jqa s ASN 137 N 2.48 6.70 0.04 3.68 4.22 -1.26 -0.85 114.94 129.95 2jqa s ASN 137 Ca 0.01 1.27 0.06 0.00 -2.14 0.00 0.00 52.86 52.06 2jqa s ASN 137 Cb -0.12 -2.54 -0.02 0.00 1.28 0.00 0.00 41.25 39.85 2jqa s ASN 137 CO -0.10 -1.05 -0.18 -0.69 -2.04 0.00 0.00 177.10 173.04 2jqa s VAL 138 N 4.29 1.48 -0.12 3.54 1.01 0.38 -5.00 120.40 125.98 2jqa s VAL 138 Ca 0.56 -1.11 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 2jqa s VAL 138 Cb -0.17 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 2jqa s VAL 138 CO 0.22 0.16 0.70 0.00 0.00 0.00 0.00 175.10 176.18 2jqa s ALA 139 N -0.79 3.43 0.54 5.51 0.00 -1.26 -1.35 121.76 127.84 2jqa s ALA 139 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.05 2jqa s ALA 139 Cb -0.08 -3.00 0.03 0.00 0.00 0.00 0.00 23.12 20.07 2jqa s ALA 139 CO 0.01 -0.32 0.24 0.00 0.00 0.00 0.00 175.76 175.70 2jqa n ALA 140 N 4.37 0.69 -2.30 0.00 0.00 -0.29 -4.91 120.51 118.07 2jqa n ALA 140 Ca -0.00 -2.27 -0.11 0.00 0.00 0.00 0.00 53.44 51.05 2jqa n ALA 140 Cb 0.50 1.06 -0.10 0.00 0.00 0.00 0.00 19.45 20.92 2jqa n ALA 140 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2jqa s THR 141 N -2.80 0.68 -0.13 0.00 2.01 -0.60 0.01 115.64 114.80 2jqa s THR 141 Ca 0.19 -1.78 0.02 0.00 0.31 0.00 0.00 61.69 60.43 2jqa s THR 141 Cb -0.01 -1.48 0.00 0.00 0.01 0.00 0.00 72.50 71.02 2jqa s THR 141 CO 0.12 -0.78 -0.21 -0.69 -0.69 0.00 0.00 174.62 172.37 2jqa s VAL 142 N -3.19 2.20 0.00 3.82 1.01 0.50 -1.15 120.40 123.59 2jqa s VAL 142 Ca 0.08 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2jqa s VAL 142 Cb 0.02 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2jqa s VAL 142 CO -0.04 0.55 0.00 2.29 0.00 0.00 0.00 175.10 177.90 2jqa n LYS 143 N 3.91 0.00 0.00 2.72 2.85 -1.26 -3.27 118.16 123.11 2jqa n LYS 143 Ca -0.20 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 2jqa n LYS 143 Cb 0.52 -0.19 0.00 0.00 -0.65 0.00 0.00 35.03 34.71 2jqa n LYS 143 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2jqa n LYS 144 N 0.00 0.00 -0.44 -1.58 3.00 -1.23 -4.46 118.16 113.46 2jqa n LYS 144 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.32 2jqa n LYS 144 Cb 0.10 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.14 2jqa n LYS 144 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2jqa n ASN 145 N 0.00 0.15 0.00 3.14 0.23 -1.26 -4.94 115.26 112.58 2jqa n ASN 145 Ca 0.00 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.05 2jqa n ASN 145 Cb 0.00 -0.20 0.00 0.00 -2.08 0.00 0.00 39.78 37.50 2jqa n ASN 145 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jqa n ILE 146 N -0.09 0.00 -3.40 1.53 3.06 -1.26 -5.06 119.36 114.14 2jqa n ILE 146 Ca 0.01 0.00 -0.22 0.00 -2.50 0.00 0.00 62.75 60.04 2jqa n ILE 146 Cb 0.68 -0.38 -0.02 0.00 0.54 0.00 0.00 39.64 40.45 2jqa n ILE 146 CO 0.00 0.00 0.00 -1.84 -2.50 0.00 0.00 176.55 172.21 2jqa n GLU 147 N -1.81 -2.56 0.00 9.51 0.28 -1.26 -4.79 120.64 120.00 2jqa n GLU 147 Ca 0.00 0.27 0.00 0.00 -0.16 0.00 0.00 57.16 57.27 2jqa n GLU 147 Cb 0.28 -4.89 0.00 0.00 1.43 0.00 0.00 31.44 28.26 2jqa n GLU 147 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jqa n GLY 148 N -0.95 0.68 0.00 -1.84 0.00 -1.26 -5.09 105.19 96.73 2jqa n GLY 148 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2jqa n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19