#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqa n GLY 2 N 0.00 -1.72 3.33 3.03 0.00 -1.26 -5.04 105.19 103.52 2jqa n GLY 2 Ca 0.00 -2.01 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 2jqa n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jqa s HIS 3 N 0.00 -0.50 -0.19 1.61 5.65 -1.26 -5.16 115.29 115.44 2jqa s HIS 3 Ca 0.00 1.20 -0.13 0.00 0.25 0.00 0.00 55.06 56.38 2jqa s HIS 3 Cb 0.00 0.18 0.06 0.00 -1.18 0.00 0.00 32.58 31.64 2jqa s HIS 3 CO 0.00 -0.25 0.48 0.99 -0.65 0.00 0.00 174.74 175.31 2jqa s THR 4 N 0.39 -0.01 -0.25 0.89 2.01 -1.26 -5.18 115.64 112.23 2jqa s THR 4 Ca -0.01 0.05 -0.10 0.00 0.31 0.00 0.00 61.69 61.93 2jqa s THR 4 Cb -0.04 -0.70 0.10 0.00 0.01 0.00 0.00 72.50 71.87 2jqa s THR 4 CO -0.01 0.02 0.56 -0.32 -0.69 0.00 0.00 174.62 174.18 2jqa s MET 5 N 1.09 0.51 0.60 4.92 -2.45 -1.26 -5.17 119.30 117.54 2jqa s MET 5 Ca -0.07 1.19 -0.13 0.00 -1.25 0.00 0.00 55.69 55.43 2jqa s MET 5 Cb -0.06 0.42 -0.04 0.00 1.25 0.00 0.00 34.83 36.40 2jqa s MET 5 CO -0.10 -0.19 1.03 -1.25 1.05 0.00 0.00 175.02 175.56 2jqa s PRO 6 N 2.29 3.51 0.12 4.11 0.04 -1.26 -5.09 135.00 138.72 2jqa s PRO 6 Ca -0.06 0.92 0.04 0.00 0.04 0.00 0.00 61.00 61.93 2jqa s PRO 6 Cb -0.10 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2jqa s PRO 6 CO -0.17 -0.64 0.11 0.00 0.04 0.00 0.00 177.00 176.35 2jqa s ALA 7 N -2.89 3.59 0.13 8.56 0.00 -1.26 -5.14 121.76 124.75 2jqa s ALA 7 Ca 0.58 -1.10 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 2jqa s ALA 7 Cb -0.12 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.58 2jqa s ALA 7 CO 0.45 0.64 0.30 -3.38 0.00 0.00 0.00 175.76 173.77 2jqa s HIS 8 N -1.56 0.11 -0.28 0.00 -3.43 -1.26 -5.17 115.29 103.71 2jqa s HIS 8 Ca 0.30 -0.49 -0.21 0.00 -0.80 0.00 0.00 55.06 53.86 2jqa s HIS 8 Cb -0.11 0.06 0.10 0.00 -1.43 0.00 0.00 32.58 31.20 2jqa s HIS 8 CO 0.23 -0.67 0.83 -0.08 -2.00 0.00 0.00 174.74 173.05 2jqa s THR 9 N -3.88 0.00 0.76 -5.38 -1.32 -1.26 -5.18 115.64 99.38 2jqa s THR 9 Ca 0.09 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.45 2jqa s THR 9 Cb 0.03 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.07 2jqa s THR 9 CO -0.07 0.00 1.10 -2.16 -2.21 0.00 0.00 174.62 171.28 2jqa s PRO 10 N 0.85 2.38 0.30 7.08 0.04 -1.26 -5.06 135.00 139.34 2jqa s PRO 10 Ca -0.04 0.53 -0.29 0.00 0.04 0.00 0.00 61.00 61.24 2jqa s PRO 10 Cb -0.05 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 2jqa s PRO 10 CO -0.09 -1.39 1.20 -1.25 0.04 0.00 0.00 177.00 175.51 2jqa s PRO 11 N -5.26 4.50 0.01 0.56 0.04 -1.26 -5.06 135.00 128.53 2jqa s PRO 11 Ca 0.60 2.00 0.08 0.00 0.04 0.00 0.00 61.00 63.71 2jqa s PRO 11 Cb -0.13 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 2jqa s PRO 11 CO 0.53 0.01 -0.24 0.00 0.04 0.00 0.00 177.00 177.35 2jqa s ALA 12 N -1.11 1.97 -0.19 8.56 0.00 -1.26 -5.13 121.76 124.61 2jqa s ALA 12 Ca 0.47 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 2jqa s ALA 12 Cb -0.36 -0.46 0.15 0.00 0.00 0.00 0.00 23.12 22.45 2jqa s ALA 12 CO 0.46 0.47 1.12 1.14 0.00 0.00 0.00 175.76 178.96 2jqa s GLN 13 N -0.80 0.42 0.02 0.00 -2.07 -1.26 -5.18 119.66 110.79 2jqa s GLN 13 Ca 0.09 0.07 0.03 0.00 -1.82 0.00 0.00 55.36 53.73 2jqa s GLN 13 Cb -0.09 0.20 -0.02 0.00 -1.09 0.00 0.00 33.01 32.01 2jqa s GLN 13 CO 0.00 -0.14 -0.11 0.99 -1.32 0.00 0.00 175.29 174.72 2jqa s THR 14 N -1.27 0.84 -0.05 3.63 2.01 -1.26 -5.15 115.64 114.40 2jqa s THR 14 Ca 0.03 -0.73 -0.22 0.00 0.31 0.00 0.00 61.69 61.08 2jqa s THR 14 Cb -0.01 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 2jqa s THR 14 CO -0.02 0.03 0.65 0.00 -0.69 0.00 0.00 174.62 174.59 2jqa s ALA 15 N -0.64 3.39 0.40 7.40 0.00 -1.26 -5.08 121.76 125.98 2jqa s ALA 15 Ca 0.01 0.08 -0.24 0.00 0.00 0.00 0.00 51.96 51.80 2jqa s ALA 15 Cb -0.06 -2.86 -0.09 0.00 0.00 0.00 0.00 23.12 20.11 2jqa s ALA 15 CO 0.00 -0.01 1.10 -1.25 0.00 0.00 0.00 175.76 175.61 2jqa s PRO 16 N 0.45 4.09 -0.27 0.00 0.04 -1.26 -5.06 135.00 133.00 2jqa s PRO 16 Ca 0.34 1.65 -0.04 0.00 0.04 0.00 0.00 61.00 62.99 2jqa s PRO 16 Cb -0.18 -2.58 0.14 0.00 0.04 0.00 0.00 34.50 31.92 2jqa s PRO 16 CO 0.17 -0.23 0.52 0.00 0.04 0.00 0.00 177.00 177.50 2jqa s ALA 17 N -1.56 -1.70 -0.23 8.56 0.00 -1.26 -5.15 121.76 120.43 2jqa s ALA 17 Ca 0.58 1.65 -0.20 0.00 0.00 0.00 0.00 51.96 53.99 2jqa s ALA 17 Cb -0.26 -1.79 0.06 0.00 0.00 0.00 0.00 23.12 21.13 2jqa s ALA 17 CO 0.32 -1.12 0.60 0.00 0.00 0.00 0.00 175.76 175.57 2jqa s ALA 18 N 2.74 -1.51 -0.29 0.00 0.00 -1.26 -5.18 121.76 116.26 2jqa s ALA 18 Ca 0.09 1.76 -0.23 0.00 0.00 0.00 0.00 51.96 53.58 2jqa s ALA 18 Cb -0.14 -1.03 0.15 0.00 0.00 0.00 0.00 23.12 22.10 2jqa s ALA 18 CO -0.18 -0.29 1.12 -1.14 0.00 0.00 0.00 175.76 175.27 2jqa s GLN 19 N 0.49 0.36 0.21 0.00 2.00 -1.26 -5.17 119.66 116.29 2jqa s GLN 19 Ca -0.01 0.48 -0.07 0.00 -2.00 0.00 0.00 55.36 53.76 2jqa s GLN 19 Cb -0.04 0.15 -0.06 0.00 0.80 0.00 0.00 33.01 33.86 2jqa s GLN 19 CO -0.02 -0.05 0.48 0.15 -0.50 0.00 0.00 175.29 175.35 2jqa s LYS 20 N 0.46 3.70 0.52 1.67 1.02 -1.26 -5.03 119.74 120.83 2jqa s LYS 20 Ca 0.01 0.08 0.26 0.00 0.02 0.00 0.00 55.97 56.34 2jqa s LYS 20 Cb -0.05 -2.73 1.43 0.00 -0.52 0.00 0.00 37.83 35.97 2jqa s LYS 20 CO -0.10 0.36 2.08 0.00 -0.92 0.00 0.00 175.35 176.77 2jqa h ALA 21 N 2.49 1.37 0.00 5.17 0.00 -2.10 -3.43 119.26 122.77 2jqa h ALA 21 Ca -0.47 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2jqa h ALA 21 Cb 1.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2jqa h ALA 21 CO 0.70 0.14 0.00 0.41 0.00 0.00 0.00 179.25 180.50 2jqa n GLY 22 N -0.82 0.43 2.73 0.00 0.00 -1.26 -5.15 105.19 101.13 2jqa n GLY 22 Ca -0.02 0.67 0.03 0.00 0.00 0.00 0.00 46.02 46.69 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 0.00 -4.93 -0.47 4.61 0.00 -1.26 -5.09 121.76 114.63 2jqa s ALA 23 Ca 0.00 1.55 0.06 0.00 0.00 0.00 0.00 51.96 53.57 2jqa s ALA 23 Cb 0.00 -3.06 0.26 0.00 0.00 0.00 0.00 23.12 20.32 2jqa s ALA 23 CO 0.00 -2.51 0.90 1.04 0.00 0.00 0.00 175.76 175.19 2jqa n GLN 24 N 3.75 0.84 -3.68 0.00 6.02 -1.26 -5.04 117.38 118.00 2jqa n GLN 24 Ca 0.05 -2.01 -0.22 0.00 -0.01 0.00 0.00 57.00 54.81 2jqa n GLN 24 Cb 0.64 -1.35 -0.18 0.00 1.02 0.00 0.00 30.24 30.37 2jqa n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jqa s ALA 25 N 0.27 0.41 -0.28 -1.58 0.00 -1.26 -5.14 121.76 114.18 2jqa s ALA 25 Ca 0.30 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.26 2jqa s ALA 25 Cb 0.24 -0.77 0.07 0.00 0.00 0.00 0.00 23.12 22.67 2jqa s ALA 25 CO -0.18 -0.67 -0.06 -0.51 0.00 0.00 0.00 175.76 174.33 2jqa s LEU 26 N 2.11 3.78 -1.20 0.00 1.02 -1.26 -5.05 118.68 118.08 2jqa s LEU 26 Ca 0.04 -1.61 -0.20 0.00 0.02 0.00 0.00 54.13 52.38 2jqa s LEU 26 Cb -0.13 -1.56 0.05 0.00 0.02 0.00 0.00 46.19 44.58 2jqa s LEU 26 CO -0.05 -0.25 1.66 -2.16 0.02 0.00 0.00 176.35 175.57 2jqa s PRO 27 N 1.06 3.76 -0.08 1.29 0.04 -1.26 -4.89 135.00 134.91 2jqa s PRO 27 Ca -0.03 -1.64 -0.07 0.00 0.04 0.00 0.00 61.00 59.29 2jqa s PRO 27 Cb -0.20 -5.46 0.02 0.00 0.04 0.00 0.00 34.50 28.91 2jqa s PRO 27 CO -0.06 -2.35 0.21 0.08 0.04 0.00 0.00 177.00 174.92 2jqa s VAL 28 N 4.92 -0.00 0.11 -0.36 1.01 -1.26 -5.02 120.40 119.80 2jqa s VAL 28 Ca 0.52 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.58 2jqa s VAL 28 Cb 0.02 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 2jqa s VAL 28 CO 0.02 0.00 -0.08 -0.89 0.00 0.00 0.00 175.10 174.15 2jqa s THR 29 N 0.14 3.47 0.02 3.92 2.01 -1.25 -5.13 115.64 118.81 2jqa s THR 29 Ca -0.00 -1.24 0.00 0.00 0.31 0.00 0.00 61.69 60.76 2jqa s THR 29 Cb -0.02 -2.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 2jqa s THR 29 CO 0.00 0.10 -0.03 0.68 -0.69 0.00 0.00 174.62 174.68 2jqa s VAL 30 N -1.25 0.17 -1.01 3.82 -7.23 -1.26 -3.75 120.40 109.88 2jqa s VAL 30 Ca 0.22 -0.61 0.10 0.00 -1.81 0.00 0.00 61.98 59.88 2jqa s VAL 30 Cb -0.11 -0.25 0.08 0.00 0.56 0.00 0.00 36.38 36.66 2jqa s VAL 30 CO 0.15 -0.28 1.31 0.00 -0.31 0.00 0.00 175.10 175.97 2jqa n GLN 31 N 2.14 0.00 -0.26 4.82 -0.00 -1.26 -4.91 117.38 117.91 2jqa n GLN 31 Ca -0.19 0.33 0.00 0.00 -0.00 0.00 0.00 57.00 57.14 2jqa n GLN 31 Cb 0.57 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.31 2jqa n GLN 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jqa n GLY 32 N -0.49 2.17 0.18 2.61 0.00 -1.26 -4.54 105.19 103.86 2jqa n GLY 32 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.05 -2.13 -3.79 4.61 0.00 -1.26 -3.91 120.51 114.07 2jqa n ALA 33 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2jqa n ALA 33 Cb 0.00 -0.36 -0.17 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.36 0.68 -0.12 0.00 -4.23 -1.03 -1.16 115.64 109.43 2jqa s THR 34 Ca 0.00 -0.43 -0.09 0.00 -1.18 0.00 0.00 61.69 59.99 2jqa s THR 34 Cb 0.00 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.79 2jqa s THR 34 CO 0.00 0.01 0.18 -0.69 -0.54 0.00 0.00 174.62 173.58 2jqa s VAL 35 N 1.81 5.42 -0.91 2.29 1.01 -0.25 -0.95 120.40 128.82 2jqa s VAL 35 Ca 0.01 0.31 -0.25 0.00 0.00 0.00 0.00 61.98 62.06 2jqa s VAL 35 Cb -0.15 -3.47 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 2jqa s VAL 35 CO -0.07 0.57 1.99 0.00 0.00 0.00 0.00 175.10 177.59 2jqa s ALA 36 N -0.73 1.56 -0.21 5.51 0.00 -0.39 -2.86 121.76 124.65 2jqa s ALA 36 Ca 0.15 -1.48 -0.41 0.00 0.00 0.00 0.00 51.96 50.22 2jqa s ALA 36 Cb -0.13 -4.57 -0.18 0.00 0.00 0.00 0.00 23.12 18.25 2jqa s ALA 36 CO 0.04 -4.97 1.49 0.00 0.00 0.00 0.00 175.76 172.32 2jqa n ALA 37 N 14.52 -1.35 -3.44 0.00 0.00 -1.26 -4.69 120.51 124.29 2jqa n ALA 37 Ca 0.41 0.49 -0.14 0.00 0.00 0.00 0.00 53.44 54.20 2jqa n ALA 37 Cb 0.46 -2.02 -0.08 0.00 0.00 0.00 0.00 19.45 17.81 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 2.05 0.01 0.68 0.00 0.11 -1.26 -4.61 120.40 117.38 2jqa s VAL 38 Ca 0.96 -0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 59.83 2jqa s VAL 38 Cb -1.20 -0.78 0.01 0.00 -1.53 0.00 0.00 36.38 32.88 2jqa s VAL 38 CO 0.64 -0.03 1.07 -2.16 -3.33 0.00 0.00 175.10 171.29 2jqa s PRO 39 N -0.07 2.89 0.00 1.54 0.04 -1.26 -4.70 135.00 133.44 2jqa s PRO 39 Ca -0.03 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.14 2jqa s PRO 39 Cb -0.03 -1.98 0.17 0.00 0.04 0.00 0.00 34.50 32.70 2jqa s PRO 39 CO 0.02 -1.14 1.00 -0.35 0.04 0.00 0.00 177.00 176.57 2jqa n PRO 40 N -2.88 0.03 0.00 0.56 -0.04 -1.26 -1.60 135.00 129.82 2jqa n PRO 40 Ca 0.08 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2jqa n PRO 40 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2jqa n PRO 40 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jqa n SER 41 N -1.36 0.00 -3.96 3.54 2.88 -1.26 -4.50 113.62 108.95 2jqa n SER 41 Ca 0.01 0.29 -0.20 0.00 -1.33 0.00 0.00 58.87 57.65 2jqa n SER 41 Cb 0.03 -0.29 -0.16 0.00 -0.75 0.00 0.00 64.21 63.04 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 -2.58 0.65 -2.13 2.46 -1.09 -0.63 -5.07 121.20 112.81 2jqa s ILE 42 Ca 0.00 -0.26 0.22 0.00 -2.23 0.00 0.00 60.65 58.38 2jqa s ILE 42 Cb 0.00 -0.61 0.54 0.00 -1.58 0.00 0.00 42.46 40.81 2jqa s ILE 42 CO 0.00 0.22 1.47 -2.11 -1.23 0.00 0.00 174.94 173.29 2jqa n ARG 43 N 3.49 2.62 -4.28 2.79 1.85 -1.26 -4.84 116.66 117.04 2jqa n ARG 43 Ca -0.20 -2.48 -0.18 0.00 -1.00 0.00 0.00 57.85 54.00 2jqa n ARG 43 Cb 0.54 -1.53 -0.14 0.00 -1.05 0.00 0.00 32.46 30.27 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 -1.20 1.08 0.04 2.89 1.01 -1.26 -1.13 116.67 118.10 2jqa s ASP 44 Ca 0.44 -0.28 -0.27 0.00 0.71 0.00 0.00 52.55 53.14 2jqa s ASP 44 Cb 0.24 -0.08 0.07 0.00 1.01 0.00 0.00 42.92 44.16 2jqa s ASP 44 CO 0.32 0.03 0.67 0.28 0.21 0.00 0.00 175.17 176.68 2jqa s THR 45 N -0.53 0.00 -0.06 -1.27 -1.32 -1.26 -5.01 115.64 106.19 2jqa s THR 45 Ca 0.01 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.53 2jqa s THR 45 Cb -0.05 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.92 2jqa s THR 45 CO 0.00 0.00 -0.18 0.00 -2.21 0.00 0.00 174.62 172.23 2jqa s ALA 46 N -2.39 2.48 -0.10 11.08 0.00 -1.26 -0.71 121.76 130.86 2jqa s ALA 46 Ca -0.05 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 2jqa s ALA 46 Cb -0.01 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 2jqa s ALA 46 CO -0.01 0.48 -0.06 0.00 0.00 0.00 0.00 175.76 176.16 2jqa s ALA 47 N -0.45 2.95 0.09 0.00 0.00 0.23 -1.26 121.76 123.32 2jqa s ALA 47 Ca 0.05 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 2jqa s ALA 47 Cb -0.12 -1.33 -0.06 0.00 0.00 0.00 0.00 23.12 21.61 2jqa s ALA 47 CO 0.02 0.43 0.47 0.71 0.00 0.00 0.00 175.76 177.38 2jqa s TYR 48 N -0.32 3.64 0.01 0.00 1.51 -0.12 -1.21 117.35 120.86 2jqa s TYR 48 Ca 0.05 0.97 -0.11 0.00 -1.01 0.00 0.00 57.07 56.96 2jqa s TYR 48 Cb -0.13 -2.29 0.01 0.00 -0.11 0.00 0.00 41.96 39.45 2jqa s TYR 48 CO 0.02 0.51 0.22 -1.64 -1.11 0.00 0.00 175.55 173.56 2jqa s MET 49 N -1.72 0.63 -0.13 -0.62 -1.94 -1.08 -2.46 119.30 111.97 2jqa s MET 49 Ca 0.33 -0.41 -0.17 0.00 -1.71 0.00 0.00 55.69 53.74 2jqa s MET 49 Cb -0.15 0.27 0.04 0.00 2.01 0.00 0.00 34.83 37.00 2jqa s MET 49 CO 0.18 -0.17 0.44 -0.08 -0.01 0.00 0.00 175.02 175.38 2jqa s THR 50 N -1.78 0.01 -0.76 2.05 -1.32 -1.26 -0.69 115.64 111.89 2jqa s THR 50 Ca -0.11 -0.09 -0.18 0.00 -1.21 0.00 0.00 61.69 60.11 2jqa s THR 50 Cb -0.05 -0.66 0.14 0.00 -1.51 0.00 0.00 72.50 70.43 2jqa s THR 50 CO 0.01 -0.05 0.86 -0.22 -2.21 0.00 0.00 174.62 173.01 2jqa s LEU 51 N -0.15 5.63 -0.35 9.08 1.98 -0.46 -4.04 118.68 130.37 2jqa s LEU 51 Ca -0.03 -1.95 -0.27 0.00 -2.89 0.00 0.00 54.13 48.98 2jqa s LEU 51 Cb -0.03 -2.31 0.02 0.00 0.66 0.00 0.00 46.19 44.52 2jqa s LEU 51 CO 0.02 -0.96 1.01 0.28 -1.89 0.00 0.00 176.35 174.80 2jqa s THR 52 N 2.04 4.53 -0.56 3.68 -1.32 -1.25 -4.14 115.64 118.63 2jqa s THR 52 Ca 0.20 1.46 0.04 0.00 -1.21 0.00 0.00 61.69 62.18 2jqa s THR 52 Cb -0.14 -4.38 0.15 0.00 -1.51 0.00 0.00 72.50 66.61 2jqa s THR 52 CO -0.03 -0.53 0.34 0.54 -2.21 0.00 0.00 174.62 172.74 2jqa s ASN 53 N 1.80 4.11 -0.04 8.08 2.20 -1.26 -3.88 114.94 125.94 2jqa s ASN 53 Ca 0.42 -3.23 -0.05 0.00 -0.94 0.00 0.00 52.86 49.05 2jqa s ASN 53 Cb -0.12 -1.40 -0.22 0.00 -2.00 0.00 0.00 41.25 37.51 2jqa s ASN 53 CO 0.18 -0.18 3.43 1.17 -2.94 0.00 0.00 177.10 178.76 2jqa n LYS 54 N 2.78 1.97 0.00 3.55 3.00 -1.26 -4.50 118.16 123.69 2jqa n LYS 54 Ca 0.13 -1.06 0.00 0.00 -0.00 0.00 0.00 58.31 57.38 2jqa n LYS 54 Cb 0.35 -1.94 0.00 0.00 0.00 0.00 0.00 35.03 33.44 2jqa n LYS 54 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2jqa n SER 55 N 2.27 0.00 -4.46 3.14 7.64 -1.26 -5.09 113.62 115.85 2jqa n SER 55 Ca 0.41 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.85 2jqa n SER 55 Cb 0.86 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 64.06 2jqa n SER 55 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jqa s ASP 56 N 0.00 7.07 -0.31 6.43 2.15 -1.26 -4.44 116.67 126.31 2jqa s ASP 56 Ca 0.00 -3.00 0.03 0.00 0.43 0.00 0.00 52.55 50.01 2jqa s ASP 56 Cb 0.00 -2.40 0.09 0.00 -0.30 0.00 0.00 42.92 40.31 2jqa s ASP 56 CO 0.00 -0.75 0.02 -1.10 -0.17 0.00 0.00 175.17 173.17 2jqa s GLN 57 N 1.58 1.54 -0.16 4.34 -1.52 -1.26 -5.00 119.66 119.18 2jqa s GLN 57 Ca 0.43 -1.60 -0.13 0.00 -1.95 0.00 0.00 55.36 52.10 2jqa s GLN 57 Cb -0.03 -2.95 -0.05 0.00 -0.22 0.00 0.00 33.01 29.77 2jqa s GLN 57 CO 0.00 -0.84 0.28 -1.25 -0.25 0.00 0.00 175.29 173.23 2jqa s PRO 58 N 1.07 4.24 -0.01 2.91 0.04 -1.26 -3.60 135.00 138.39 2jqa s PRO 58 Ca 0.06 0.07 -0.12 0.00 0.04 0.00 0.00 61.00 61.05 2jqa s PRO 58 Cb -0.19 -3.42 0.02 0.00 0.04 0.00 0.00 34.50 30.94 2jqa s PRO 58 CO -0.09 0.25 0.25 0.42 0.04 0.00 0.00 177.00 177.86 2jqa s ILE 59 N 0.44 0.06 -0.21 0.56 1.01 -0.50 -4.99 121.20 117.58 2jqa s ILE 59 Ca 0.16 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.24 2jqa s ILE 59 Cb -0.13 -0.54 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 2jqa s ILE 59 CO 0.03 -0.28 -0.00 -0.54 0.00 0.00 0.00 174.94 174.15 2jqa s LYS 60 N -1.24 3.58 0.39 2.79 1.02 -1.26 -0.29 119.74 124.73 2jqa s LYS 60 Ca -0.13 -0.53 0.03 0.00 0.02 0.00 0.00 55.97 55.36 2jqa s LYS 60 Cb -0.06 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 2jqa s LYS 60 CO 0.03 -0.03 0.09 -0.51 -0.92 0.00 0.00 175.35 174.00 2jqa s LEU 61 N 1.12 2.10 -0.10 3.17 1.02 -1.26 -3.57 118.68 121.17 2jqa s LEU 61 Ca 0.03 -1.56 0.07 0.00 0.02 0.00 0.00 54.13 52.68 2jqa s LEU 61 Cb -0.14 -0.28 -0.11 0.00 0.02 0.00 0.00 46.19 45.67 2jqa s LEU 61 CO 0.01 -0.80 0.01 1.33 0.02 0.00 0.00 176.35 176.92 2jqa n VAL 62 N -0.87 0.64 0.00 -1.59 0.24 -1.25 -0.72 118.33 114.77 2jqa n VAL 62 Ca -0.06 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 2jqa n VAL 62 Cb 0.66 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 32.24 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 2.53 0.53 3.17 7.63 0.00 -1.26 -2.76 105.19 115.02 2jqa n GLY 63 Ca -0.16 -1.39 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.00 1.15 0.23 4.61 0.00 -1.26 -4.53 121.76 120.96 2jqa s ALA 64 Ca 0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 2jqa s ALA 64 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2jqa s ALA 64 CO 0.00 0.14 0.35 0.00 0.00 0.00 0.00 175.76 176.26 2jqa s ALA 65 N -1.37 0.24 -0.09 0.00 0.00 0.06 -4.93 121.76 115.67 2jqa s ALA 65 Ca -0.02 -1.15 -0.05 0.00 0.00 0.00 0.00 51.96 50.74 2jqa s ALA 65 Cb -0.09 1.17 0.04 0.00 0.00 0.00 0.00 23.12 24.23 2jqa s ALA 65 CO 0.02 -0.76 0.23 -0.08 0.00 0.00 0.00 175.76 175.17 2jqa s THR 66 N -4.06 -0.03 -2.31 0.00 -1.32 -1.26 -1.05 115.64 105.61 2jqa s THR 66 Ca 0.28 0.12 0.21 0.00 -1.21 0.00 0.00 61.69 61.09 2jqa s THR 66 Cb 0.02 -0.35 0.46 0.00 -1.51 0.00 0.00 72.50 71.12 2jqa s THR 66 CO 0.10 0.05 1.44 -0.81 -2.21 0.00 0.00 174.62 173.19 2jqa n PRO 67 N 3.97 2.31 0.00 7.08 -0.04 -1.26 -4.36 135.00 142.70 2jqa n PRO 67 Ca -0.23 -2.00 0.00 0.00 -0.04 0.00 0.00 63.50 61.23 2jqa n PRO 67 Cb 0.54 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2jqa n PRO 67 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jqa n LEU 68 N 1.18 0.29 -4.73 1.53 7.99 -1.26 -4.87 117.00 117.13 2jqa n LEU 68 Ca 0.19 0.57 -0.40 0.00 -0.01 0.00 0.00 56.01 56.36 2jqa n LEU 68 Cb 0.52 -0.43 0.02 0.00 -0.11 0.00 0.00 43.42 43.42 2jqa n LEU 68 CO 0.15 -0.43 0.96 0.00 -1.51 0.00 0.00 177.39 176.55 2jqa n ALA 69 N -1.80 1.60 0.39 -1.18 0.00 -1.24 -4.41 120.51 113.88 2jqa n ALA 69 Ca 0.00 0.24 0.13 0.00 0.00 0.00 0.00 53.44 53.81 2jqa n ALA 69 Cb 0.00 -2.32 0.52 0.00 0.00 0.00 0.00 19.45 17.64 2jqa n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jqa h THR 70 N 2.10 0.00 -3.04 0.00 1.03 -1.67 -3.39 112.91 107.94 2jqa h THR 70 Ca -0.49 -0.32 -0.25 0.00 -0.01 0.00 0.00 66.41 65.34 2jqa h THR 70 Cb 1.29 1.13 -0.33 0.00 -1.07 0.00 0.00 68.15 69.16 2jqa h THR 70 CO 0.60 0.00 -0.58 -0.55 -0.01 0.00 0.00 175.52 174.98 2jqa s SER 71 N -4.57 0.34 -0.50 0.00 0.15 -0.55 -5.03 113.70 103.54 2jqa s SER 71 Ca 0.04 0.44 -0.28 0.00 0.70 0.00 0.00 55.95 56.84 2jqa s SER 71 Cb 0.09 0.41 0.03 0.00 -1.71 0.00 0.00 66.02 64.84 2jqa s SER 71 CO 0.44 -0.22 1.11 -2.16 1.20 0.00 0.00 173.24 173.62 2jqa s PRO 72 N 2.00 3.65 -0.41 5.44 0.04 -1.26 -1.84 135.00 142.61 2jqa s PRO 72 Ca -0.01 0.43 0.04 0.00 0.04 0.00 0.00 61.00 61.50 2jqa s PRO 72 Cb -0.12 -3.93 0.11 0.00 0.04 0.00 0.00 34.50 30.60 2jqa s PRO 72 CO -0.07 -1.42 0.13 1.41 0.04 0.00 0.00 177.00 177.10 2jqa s MET 73 N 4.43 1.68 0.06 4.56 1.75 -0.44 -5.00 119.30 126.35 2jqa s MET 73 Ca 0.45 -2.17 -0.08 0.00 -1.25 0.00 0.00 55.69 52.64 2jqa s MET 73 Cb -0.08 -3.26 -0.05 0.00 2.84 0.00 0.00 34.83 34.28 2jqa s MET 73 CO 0.30 -1.01 0.35 -0.48 -0.65 0.00 0.00 175.02 173.53 2jqa s LEU 74 N 0.44 4.35 0.30 4.11 2.34 -1.26 -0.33 118.68 128.63 2jqa s LEU 74 Ca 0.13 0.69 -0.18 0.00 0.06 0.00 0.00 54.13 54.84 2jqa s LEU 74 Cb -0.22 -2.89 0.02 0.00 -0.56 0.00 0.00 46.19 42.55 2jqa s LEU 74 CO -0.05 0.19 0.69 0.00 -1.06 0.00 0.00 176.35 176.12 2jqa s MET 75 N -1.90 1.86 -0.13 1.48 0.23 -0.23 -4.07 119.30 116.54 2jqa s MET 75 Ca 0.31 -1.16 -0.29 0.00 -1.03 0.00 0.00 55.69 53.53 2jqa s MET 75 Cb -0.14 0.59 0.07 0.00 -1.53 0.00 0.00 34.83 33.82 2jqa s MET 75 CO 0.18 -0.84 0.69 -0.08 -2.03 0.00 0.00 175.02 172.94 2jqa s THR 76 N -3.54 0.00 0.00 3.16 -1.32 -1.26 -1.06 115.64 111.62 2jqa s THR 76 Ca 0.14 -0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.62 2jqa s THR 76 Cb -0.05 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.94 2jqa s THR 76 CO 0.09 -0.00 0.00 0.35 -2.21 0.00 0.00 174.62 172.85 2jqa n THR 77 N 1.56 0.00 -1.71 5.08 -2.24 0.38 -1.97 114.28 115.37 2jqa n THR 77 Ca -0.17 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 2jqa n THR 77 Cb 0.56 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 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 2.57 -3.93 4.28 -2.24 -1.26 -1.37 114.28 112.33 2jqa n THR 78 Ca 0.00 -2.41 -0.10 0.00 -2.27 0.00 0.00 64.05 59.27 2jqa n THR 78 Cb 0.00 -2.36 -0.10 0.00 -2.10 0.00 0.00 70.33 65.76 2jqa n THR 78 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2jqa s HIS 79 N 5.71 0.17 0.00 4.78 4.02 -1.26 -4.80 115.29 123.91 2jqa s HIS 79 Ca 0.57 -0.39 0.00 0.00 1.02 0.00 0.00 55.06 56.25 2jqa s HIS 79 Cb 0.10 -0.13 0.00 0.00 -1.02 0.00 0.00 32.58 31.52 2jqa s HIS 79 CO 0.07 -0.27 0.00 0.43 1.02 0.00 0.00 174.74 175.99 2jqa n SER 80 N 1.34 0.00 0.00 1.40 7.64 -1.07 -2.75 113.62 120.17 2jqa n SER 80 Ca -0.22 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.75 2jqa n SER 80 Cb 0.56 0.00 0.44 0.00 -1.01 0.00 0.00 64.21 64.20 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 -1.00 -0.96 0.04 0.23 0.00 -0.55 -3.89 105.19 99.06 2jqa n GLY 81 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.29 0.68 3.24 -0.02 0.00 -1.22 -4.96 105.19 103.21 2jqa n GLY 82 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 1.22 0.08 1.61 0.00 -1.25 -5.12 119.30 115.84 2jqa s MET 83 Ca 0.00 -1.64 0.02 0.00 0.00 0.00 0.00 55.69 54.07 2jqa s MET 83 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 34.83 34.81 2jqa s MET 83 CO 0.00 -0.31 0.14 0.00 0.00 0.00 0.00 175.02 174.86 2jqa s ALA 84 N -3.94 3.75 0.02 4.11 0.00 -1.26 -2.61 121.76 121.82 2jqa s ALA 84 Ca 0.35 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2jqa s ALA 84 Cb 0.07 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.60 2jqa s ALA 84 CO 0.10 0.75 0.00 0.41 0.00 0.00 0.00 175.76 177.02 2jqa n GLY 85 N 0.28 1.87 3.58 0.00 0.00 -0.47 -4.84 105.19 105.61 2jqa n GLY 85 Ca -0.07 -2.12 -0.11 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.89 0.62 0.52 1.61 -2.45 -1.18 -4.11 119.30 112.42 2jqa s MET 86 Ca 0.00 0.20 -0.23 0.00 -1.25 0.00 0.00 55.69 54.41 2jqa s MET 86 Cb 0.00 0.30 -0.06 0.00 1.25 0.00 0.00 34.83 36.32 2jqa s MET 86 CO 0.00 -0.18 1.39 0.15 1.05 0.00 0.00 175.02 177.42 2jqa s LYS 87 N -0.98 3.31 0.98 4.11 1.02 -0.83 -4.12 119.74 123.24 2jqa s LYS 87 Ca -0.02 2.31 0.00 0.00 0.02 0.00 0.00 55.97 58.28 2jqa s LYS 87 Cb -0.01 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 34.91 2jqa s LYS 87 CO 0.02 -1.08 0.00 -1.33 -0.92 0.00 0.00 175.35 172.04 2jqa n MET 88 N -0.76 0.00 -2.73 1.68 2.81 -1.26 -4.91 117.12 111.95 2jqa n MET 88 Ca 0.09 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.55 2jqa n MET 88 Cb 0.44 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.92 2jqa n MET 88 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2jqa s VAL 89 N 0.00 4.74 -0.02 2.03 -7.23 -1.26 -3.08 120.40 115.58 2jqa s VAL 89 Ca 0.00 1.91 -0.18 0.00 -1.81 0.00 0.00 61.98 61.90 2jqa s VAL 89 Cb 0.00 -4.26 -0.33 0.00 0.56 0.00 0.00 36.38 32.35 2jqa s VAL 89 CO 0.00 -0.12 0.90 1.55 -0.31 0.00 0.00 175.10 177.13 2jqa h PRO 90 N 7.44 0.41 -5.93 4.82 0.13 -1.87 -3.45 132.00 133.54 2jqa h PRO 90 Ca -0.22 -0.70 -0.57 0.00 -0.87 0.00 0.00 66.00 63.64 2jqa h PRO 90 Cb 1.08 0.26 -0.09 0.00 0.13 0.00 0.00 31.00 32.38 2jqa h PRO 90 CO 0.93 1.33 -0.53 -1.58 -0.23 0.00 0.00 178.00 177.92 2jqa s TRP 91 N -2.51 2.60 0.00 1.56 0.51 -1.11 -4.55 118.94 115.44 2jqa s TRP 91 Ca -0.12 -0.53 0.00 0.00 -2.12 0.00 0.00 56.10 53.32 2jqa s TRP 91 Cb 0.03 -1.81 0.00 0.00 -0.81 0.00 0.00 33.47 30.88 2jqa s TRP 91 CO 0.88 0.28 0.00 1.47 -0.51 0.00 0.00 176.95 179.07 2jqa n LEU 92 N -1.15 0.00 -3.73 2.99 -0.00 0.10 -4.42 117.00 110.79 2jqa n LEU 92 Ca -0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.86 2jqa n LEU 92 Cb 0.64 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.96 2jqa n LEU 92 CO 0.45 0.00 0.10 -0.89 -0.00 0.00 0.00 177.39 177.05 2jqa s THR 93 N 0.00 0.00 -0.27 1.47 2.01 -1.26 -4.40 115.64 113.19 2jqa s THR 93 Ca 0.00 -0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 2jqa s THR 93 Cb 0.00 -0.59 0.03 0.00 0.01 0.00 0.00 72.50 71.95 2jqa s THR 93 CO 0.00 -0.00 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.28 2jqa s ILE 94 N 0.22 3.14 0.62 1.82 1.09 0.60 -4.95 121.20 123.73 2jqa s ILE 94 Ca -0.00 -1.05 -0.14 0.00 -1.10 0.00 0.00 60.65 58.36 2jqa s ILE 94 Cb -0.03 -2.65 -0.03 0.00 -1.06 0.00 0.00 42.46 38.69 2jqa s ILE 94 CO 0.01 0.09 1.04 -2.16 -0.10 0.00 0.00 174.94 173.82 2jqa s PRO 95 N 1.34 3.33 -0.44 2.79 0.04 -1.26 -1.41 135.00 139.38 2jqa s PRO 95 Ca -0.01 1.04 -0.27 0.00 0.04 0.00 0.00 61.00 61.80 2jqa s PRO 95 Cb -0.18 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 2jqa s PRO 95 CO -0.02 -0.79 1.87 0.00 0.04 0.00 0.00 177.00 178.10 2jqa s ALA 96 N -2.74 2.51 0.00 8.56 0.00 -1.24 -1.42 121.76 127.44 2jqa s ALA 96 Ca 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.47 2jqa s ALA 96 Cb -0.14 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 18.83 2jqa s ALA 96 CO 0.43 -3.24 0.00 0.54 0.00 0.00 0.00 175.76 173.50 2jqa n ARG 97 N 8.75 0.00 0.27 0.00 1.74 -1.26 -4.88 116.66 121.28 2jqa n ARG 97 Ca 0.23 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.43 2jqa n ARG 97 Cb 0.49 0.00 0.76 0.00 -1.02 0.00 0.00 32.46 32.69 2jqa n ARG 97 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2jqa h GLY 98 N 0.00 0.00 -5.71 -0.13 0.00 -1.61 -3.46 103.07 92.16 2jqa h GLY 98 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2jqa h GLY 98 CO 0.00 0.00 -0.43 2.41 0.00 0.00 0.00 176.54 178.52 2jqa n THR 99 N -3.92 -8.40 -2.52 4.70 -1.04 -1.26 -2.85 114.28 98.99 2jqa n THR 99 Ca -0.02 -0.47 -0.41 0.00 -2.04 0.00 0.00 64.05 61.11 2jqa n THR 99 Cb 0.16 -5.91 -0.04 0.00 -1.82 0.00 0.00 70.33 62.72 2jqa n THR 99 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2jqa s LEU 100 N -4.67 4.52 0.01 -4.42 2.01 -1.26 -1.49 118.68 113.39 2jqa s LEU 100 Ca 0.13 2.14 0.00 0.00 0.01 0.00 0.00 54.13 56.41 2jqa s LEU 100 Cb -0.03 -3.61 0.00 0.00 0.01 0.00 0.00 46.19 42.56 2jqa s LEU 100 CO 0.79 -0.17 0.00 0.41 1.01 0.00 0.00 176.35 178.39 2jqa n THR 101 N 1.91 -0.27 0.00 5.49 -1.04 -1.26 -1.36 114.28 117.75 2jqa n THR 101 Ca 0.01 0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2jqa n THR 101 Cb 0.46 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 2jqa n THR 101 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2jqa n LEU 102 N -1.43 0.00 -3.93 -4.42 4.77 0.13 -3.99 117.00 108.14 2jqa n LEU 102 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 2jqa n LEU 102 Cb 0.01 0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 2jqa n LEU 102 CO 0.00 -0.12 0.34 -1.10 -1.33 0.00 0.00 177.39 175.17 2jqa s GLN 103 N -0.24 1.71 0.47 3.23 1.11 -0.88 -2.65 119.66 122.41 2jqa s GLN 103 Ca 0.00 -1.15 0.33 0.00 0.01 0.00 0.00 55.36 54.55 2jqa s GLN 103 Cb 0.00 0.54 1.46 0.00 -1.01 0.00 0.00 33.01 34.00 2jqa s GLN 103 CO 0.00 -0.75 1.67 -0.09 0.01 0.00 0.00 175.29 176.13 2jqa h ARG 104 N 2.12 0.10 -1.05 2.91 2.43 -1.93 0.16 114.38 119.12 2jqa h ARG 104 Ca -0.23 -0.01 0.36 0.00 -0.81 0.00 0.00 59.98 59.30 2jqa h ARG 104 Cb 1.25 -0.02 -0.15 0.00 -0.42 0.00 0.00 29.97 30.63 2jqa h ARG 104 CO 0.30 0.06 0.61 -0.44 -1.51 0.00 0.00 179.97 178.99 2jqa h ASP 105 N 0.10 0.42 0.00 -3.80 5.19 -2.04 -3.39 116.42 112.91 2jqa h ASP 105 Ca 0.76 0.20 -0.01 0.00 -0.62 0.00 0.00 57.03 57.35 2jqa h ASP 105 Cb 2.58 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 42.25 2jqa h ASP 105 CO -0.24 -0.21 -0.03 0.61 -3.12 0.00 0.00 179.24 176.25 2jqa n GLY 106 N -1.32 -0.02 3.17 2.75 0.00 -0.36 -4.96 105.19 104.44 2jqa n GLY 106 Ca 0.34 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.41 2jqa n GLY 106 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2jqa s ASP 107 N -0.09 -0.58 0.15 1.61 1.47 0.43 -0.47 116.67 119.18 2jqa s ASP 107 Ca 0.00 0.40 -0.24 0.00 1.18 0.00 0.00 52.55 53.89 2jqa s ASP 107 Cb 0.00 1.50 0.07 0.00 -0.34 0.00 0.00 42.92 44.15 2jqa s ASP 107 CO 0.00 -0.11 0.66 -1.38 0.68 0.00 0.00 175.17 175.02 2jqa s HIS 108 N 2.89 -0.47 -0.20 2.11 -3.43 -0.23 -2.08 115.29 113.88 2jqa s HIS 108 Ca 0.02 0.25 -0.04 0.00 -0.80 0.00 0.00 55.06 54.48 2jqa s HIS 108 Cb -0.10 0.57 -0.02 0.00 -1.43 0.00 0.00 32.58 31.60 2jqa s HIS 108 CO -0.13 -0.84 -0.02 0.54 -2.00 0.00 0.00 174.74 172.30 2jqa s VAL 109 N -3.66 3.75 -0.12 -5.38 0.11 -0.35 -1.07 120.40 113.68 2jqa s VAL 109 Ca 0.03 -0.38 -0.22 0.00 -2.93 0.00 0.00 61.98 58.48 2jqa s VAL 109 Cb -0.01 -2.69 -0.03 0.00 -1.53 0.00 0.00 36.38 32.11 2jqa s VAL 109 CO -0.10 0.43 0.65 -0.32 -3.33 0.00 0.00 175.10 172.43 2jqa s MET 110 N 1.08 4.34 -1.25 1.54 1.75 0.55 -0.60 119.30 126.71 2jqa s MET 110 Ca 0.02 0.74 -0.05 0.00 -1.25 0.00 0.00 55.69 55.15 2jqa s MET 110 Cb -0.14 -3.49 0.17 0.00 2.84 0.00 0.00 34.83 34.20 2jqa s MET 110 CO 0.01 -0.04 2.20 1.28 -0.65 0.00 0.00 175.02 177.82 2jqa n LEU 111 N 4.25 7.74 -4.66 4.11 4.77 0.11 -1.32 117.00 131.99 2jqa n LEU 111 Ca -0.02 -4.98 -0.42 0.00 -0.03 0.00 0.00 56.01 50.56 2jqa n LEU 111 Cb 0.51 -1.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.24 2jqa n LEU 111 CO 0.46 1.98 1.60 -0.32 -1.33 0.00 0.00 177.39 179.78 2jqa s MET 112 N -1.69 4.14 0.00 3.23 1.75 -0.77 -1.52 119.30 124.44 2jqa s MET 112 Ca 0.49 2.60 0.00 0.00 -1.25 0.00 0.00 55.69 57.53 2jqa s MET 112 Cb 0.17 -4.16 0.00 0.00 2.84 0.00 0.00 34.83 33.68 2jqa s MET 112 CO -0.09 -0.96 0.00 0.41 -0.65 0.00 0.00 175.02 173.74 2jqa n GLY 113 N 4.54 0.75 5.00 2.11 0.00 -0.28 -1.48 105.19 115.83 2jqa n GLY 113 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2jqa n GLY 113 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2jqa n LEU 114 N 0.00 0.00 0.00 0.99 -0.00 -0.41 -4.48 117.00 113.10 2jqa n LEU 114 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2jqa n LEU 114 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2jqa n LEU 114 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 177.39 177.68 2jqa n LYS 115 N 0.00 0.00 -3.34 1.47 4.01 -1.26 -3.63 118.16 115.41 2jqa n LYS 115 Ca 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.71 2jqa n LYS 115 Cb 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 34.44 2jqa n LYS 115 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2jqa s ARG 116 N 0.00 0.36 0.48 1.97 6.06 -1.26 -4.45 118.95 122.10 2jqa s ARG 116 Ca 0.00 0.50 -0.23 0.00 -2.50 0.00 0.00 55.73 53.50 2jqa s ARG 116 Cb 0.00 -0.45 -0.07 0.00 0.06 0.00 0.00 34.95 34.49 2jqa s ARG 116 CO 0.00 -0.68 1.24 -1.25 -2.50 0.00 0.00 175.30 172.12 2jqa s PRO 117 N 2.55 3.61 0.16 5.12 0.04 -1.26 -5.02 135.00 140.20 2jqa s PRO 117 Ca 0.13 1.97 -0.18 0.00 0.04 0.00 0.00 61.00 62.95 2jqa s PRO 117 Cb -0.15 -2.42 0.04 0.00 0.04 0.00 0.00 34.50 32.01 2jqa s PRO 117 CO -0.17 -0.73 0.50 -0.48 0.04 0.00 0.00 177.00 176.16 2jqa s LEU 118 N -3.08 0.02 0.03 -3.56 0.05 -1.26 -5.12 118.68 105.75 2jqa s LEU 118 Ca 0.65 -0.30 0.03 0.00 0.05 0.00 0.00 54.13 54.56 2jqa s LEU 118 Cb -0.33 2.16 -0.02 0.00 -2.05 0.00 0.00 46.19 45.95 2jqa s LEU 118 CO 0.41 -0.97 -0.10 -0.75 -0.55 0.00 0.00 176.35 174.39 2jqa s LYS 119 N -3.82 0.70 0.00 1.48 2.47 -1.26 -4.76 119.74 114.55 2jqa s LYS 119 Ca 0.05 -0.60 0.00 0.00 -1.56 0.00 0.00 55.97 53.86 2jqa s LYS 119 Cb -0.00 -0.64 0.00 0.00 -1.46 0.00 0.00 37.83 35.73 2jqa s LYS 119 CO -0.09 0.16 0.19 1.55 0.16 0.00 0.00 175.35 177.32 2jqa n VAL 120 N 2.09 0.00 -2.67 4.02 3.14 -1.26 -1.76 118.33 121.88 2jqa n VAL 120 Ca -0.18 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.19 2jqa n VAL 120 Cb 0.56 -0.89 0.06 0.00 -1.06 0.00 0.00 33.84 32.51 2jqa n VAL 120 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2jqa n GLY 121 N -0.63 1.68 3.44 7.55 0.00 -0.98 -3.98 105.19 112.26 2jqa n GLY 121 Ca 0.00 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.73 1.57 -0.06 1.61 2.12 -0.72 -4.95 118.70 116.53 2jqa s GLU 122 Ca 0.20 -1.76 -0.03 0.00 0.36 0.00 0.00 54.97 53.73 2jqa s GLU 122 Cb 0.35 -1.38 -0.04 0.00 0.26 0.00 0.00 34.13 33.32 2jqa s GLU 122 CO -0.08 0.16 0.12 0.95 -0.54 0.00 0.00 175.26 175.87 2jqa s THR 123 N -2.82 5.14 -0.03 -1.70 -4.23 -1.26 -0.23 115.64 110.51 2jqa s THR 123 Ca 0.28 -0.11 0.04 0.00 -1.18 0.00 0.00 61.69 60.72 2jqa s THR 123 Cb 0.00 -3.30 -0.00 0.00 1.34 0.00 0.00 72.50 70.54 2jqa s THR 123 CO 0.12 0.47 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.84 2jqa s VAL 124 N -1.13 1.18 -0.20 2.29 1.01 0.28 -4.94 120.40 118.89 2jqa s VAL 124 Ca 0.20 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 2jqa s VAL 124 Cb -0.12 -1.02 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 2jqa s VAL 124 CO 0.10 0.35 1.19 0.20 0.00 0.00 0.00 175.10 176.94 2jqa s ASN 125 N -0.01 6.97 0.20 3.32 -0.87 -1.26 -0.51 114.94 122.77 2jqa s ASN 125 Ca -0.01 1.55 0.02 0.00 -1.57 0.00 0.00 52.86 52.84 2jqa s ASN 125 Cb -0.09 -2.54 -0.05 0.00 -0.02 0.00 0.00 41.25 38.55 2jqa s ASN 125 CO 0.01 -0.76 0.02 -0.51 -2.57 0.00 0.00 177.10 173.30 2jqa s ILE 126 N 3.47 0.66 -0.12 0.60 2.07 -0.22 -4.89 121.20 122.77 2jqa s ILE 126 Ca 0.51 -1.99 0.02 0.00 -1.41 0.00 0.00 60.65 57.79 2jqa s ILE 126 Cb -0.19 -2.25 0.01 0.00 0.13 0.00 0.00 42.46 40.16 2jqa s ILE 126 CO 0.12 -0.36 -0.18 -0.89 -1.91 0.00 0.00 174.94 171.73 2jqa s THR 127 N -3.67 1.75 -0.27 4.00 2.01 -0.21 -1.05 115.64 118.20 2jqa s THR 127 Ca 0.27 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 2jqa s THR 127 Cb 0.06 -1.57 0.09 0.00 0.01 0.00 0.00 72.50 71.09 2jqa s THR 127 CO 0.06 0.49 0.08 -0.76 -0.69 0.00 0.00 174.62 173.80 2jqa s LEU 128 N 0.90 1.73 -0.45 4.42 1.02 0.11 -0.76 118.68 125.66 2jqa s LEU 128 Ca -0.07 -1.33 -0.19 0.00 0.02 0.00 0.00 54.13 52.57 2jqa s LEU 128 Cb -0.15 -0.74 0.03 0.00 0.02 0.00 0.00 46.19 45.36 2jqa s LEU 128 CO -0.02 -0.38 0.55 -0.75 0.02 0.00 0.00 176.35 175.78 2jqa s LYS 129 N 1.74 3.16 -0.06 1.70 2.20 -1.26 -0.90 119.74 126.31 2jqa s LYS 129 Ca 0.06 -0.68 -0.30 0.00 -0.36 0.00 0.00 55.97 54.69 2jqa s LYS 129 Cb -0.17 -4.00 -0.05 0.00 -1.51 0.00 0.00 37.83 32.10 2jqa s LYS 129 CO -0.20 -1.01 1.57 0.00 -0.36 0.00 0.00 175.35 175.35 2jqa s ALA 130 N 2.48 3.63 0.14 3.13 0.00 -1.26 -3.85 121.76 126.03 2jqa s ALA 130 Ca 0.16 0.88 -0.25 0.00 0.00 0.00 0.00 51.96 52.75 2jqa s ALA 130 Cb -0.17 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.24 2jqa s ALA 130 CO 0.15 -1.29 1.61 1.79 0.00 0.00 0.00 175.76 178.01 2jqa h THR 131 N 5.45 0.29 -1.10 0.00 1.35 -1.88 -1.48 112.91 115.54 2jqa h THR 131 Ca -0.37 0.00 -0.62 0.00 -0.55 0.00 0.00 66.41 64.87 2jqa h THR 131 Cb 1.17 0.29 -0.37 0.00 -1.73 0.00 0.00 68.15 67.51 2jqa h THR 131 CO 0.95 0.00 -0.12 0.47 -0.25 0.00 0.00 175.52 176.57 2jqa n ASP 132 N -5.40 5.95 0.00 5.36 8.00 -1.26 -4.62 116.55 124.57 2jqa n ASP 132 Ca -0.02 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.71 2jqa n ASP 132 Cb 0.32 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 2jqa n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jqa n GLY 133 N -0.71 0.00 0.23 0.44 0.00 -0.78 -5.07 105.19 99.30 2jqa n GLY 133 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2jqa n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jqa n ARG 134 N -2.52 -0.67 0.00 1.61 5.12 -0.63 -4.99 116.66 114.58 2jqa n ARG 134 Ca 0.00 0.50 0.00 0.00 -1.93 0.00 0.00 57.85 56.42 2jqa n ARG 134 Cb 0.17 -0.56 0.00 0.00 -1.16 0.00 0.00 32.46 30.91 2jqa n ARG 134 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2jqa n THR 135 N -0.99 0.00 0.00 0.55 -2.24 -1.26 -4.63 114.28 105.70 2jqa n THR 135 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2jqa n THR 135 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2jqa n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jqa n LEU 136 N -1.42 0.00 -4.51 3.22 -0.00 -0.08 -4.73 117.00 109.47 2jqa n LEU 136 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.69 2jqa n LEU 136 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 2jqa n LEU 136 CO 0.00 0.00 2.06 -3.20 -0.00 0.00 0.00 177.39 176.25 2jqa n ASN 137 N 5.07 0.19 -4.23 1.45 5.15 -1.26 -0.71 115.26 120.91 2jqa n ASN 137 Ca 0.00 -0.30 -0.19 0.00 -0.60 0.00 0.00 54.58 53.49 2jqa n ASN 137 Cb 0.00 -0.97 -0.12 0.00 -0.53 0.00 0.00 39.78 38.17 2jqa n ASN 137 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2jqa s VAL 138 N 7.32 1.36 -0.23 3.44 1.01 -0.21 -4.97 120.40 128.12 2jqa s VAL 138 Ca 1.25 -1.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 2jqa s VAL 138 Cb -0.88 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2jqa s VAL 138 CO 0.44 -0.30 0.34 0.00 0.00 0.00 0.00 175.10 175.58 2jqa s ALA 139 N -1.74 3.57 0.40 5.51 0.00 -1.26 -1.06 121.76 127.18 2jqa s ALA 139 Ca 0.06 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.35 2jqa s ALA 139 Cb -0.07 -2.59 -0.01 0.00 0.00 0.00 0.00 23.12 20.44 2jqa s ALA 139 CO 0.03 -0.38 0.61 0.00 0.00 0.00 0.00 175.76 176.02 2jqa s ALA 140 N 1.47 3.80 0.05 0.00 0.00 0.33 -4.76 121.76 122.65 2jqa s ALA 140 Ca 0.16 -1.07 0.06 0.00 0.00 0.00 0.00 51.96 51.10 2jqa s ALA 140 Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 2jqa s ALA 140 CO 0.08 -0.23 -0.12 0.99 0.00 0.00 0.00 175.76 176.48 2jqa s THR 141 N -2.43 3.24 -0.22 0.00 2.01 -0.31 -0.56 115.64 117.37 2jqa s THR 141 Ca 0.45 -1.09 -0.05 0.00 0.31 0.00 0.00 61.69 61.31 2jqa s THR 141 Cb -0.10 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 2jqa s THR 141 CO 0.36 0.28 0.01 -0.69 -0.69 0.00 0.00 174.62 173.90 2jqa s VAL 142 N -1.04 3.95 -0.28 3.82 1.01 0.69 -1.09 120.40 127.44 2jqa s VAL 142 Ca 0.18 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 61.64 2jqa s VAL 142 Cb -0.11 -2.81 0.12 0.00 0.00 0.00 0.00 36.38 33.59 2jqa s VAL 142 CO 0.09 0.40 0.95 -0.75 0.00 0.00 0.00 175.10 175.78 2jqa s LYS 143 N 1.28 0.51 0.00 2.72 2.20 -1.14 -2.32 119.74 123.00 2jqa s LYS 143 Ca 0.04 0.73 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 2jqa s LYS 143 Cb -0.15 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.36 2jqa s LYS 143 CO 0.01 -0.08 0.00 1.17 -0.36 0.00 0.00 175.35 176.09 2jqa n LYS 144 N 3.05 0.00 0.00 4.03 3.00 -1.26 -4.45 118.16 122.54 2jqa n LYS 144 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 2jqa n LYS 144 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 2jqa n LYS 144 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2jqa n ASN 145 N -2.36 0.00 0.10 3.14 2.85 -1.26 -4.88 115.26 112.85 2jqa n ASN 145 Ca 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.42 2jqa n ASN 145 Cb 0.00 -0.19 -0.02 0.00 1.24 0.00 0.00 39.78 40.81 2jqa n ASN 145 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 2jqa h ILE 146 N 0.00 0.00 0.00 -1.44 2.04 -1.98 -3.45 117.51 112.68 2jqa h ILE 146 Ca 0.00 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2jqa h ILE 146 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 2jqa h ILE 146 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.53 2jqa n GLU 147 N -3.73 0.00 -0.78 2.37 4.71 -1.26 -5.10 120.64 116.85 2jqa n GLU 147 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.11 2jqa n GLU 147 Cb 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.55 2jqa n GLU 147 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jqa n GLY 148 N 3.57 -1.54 3.98 0.62 0.00 -1.26 -5.20 105.19 105.36 2jqa n GLY 148 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2jqa n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86