#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 1.17 2.76 3.03 0.00 -1.26 -5.16 105.19 105.73 2jqa n GLY 2 Ca 0.00 0.21 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.03 -0.25 1.61 5.65 -1.26 -5.16 115.29 115.85 2jqa s HIS 3 Ca 0.00 0.34 -0.24 0.00 0.25 0.00 0.00 55.06 55.41 2jqa s HIS 3 Cb 0.00 -0.33 0.07 0.00 -1.18 0.00 0.00 32.58 31.14 2jqa s HIS 3 CO 0.00 -0.19 0.70 -0.08 -0.65 0.00 0.00 174.74 174.52 2jqa s THR 4 N 1.85 0.00 -0.34 0.89 -1.32 -1.26 -5.14 115.64 110.33 2jqa s THR 4 Ca -0.00 -0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 2jqa s THR 4 Cb -0.12 -0.97 0.19 0.00 -1.51 0.00 0.00 72.50 70.09 2jqa s THR 4 CO -0.04 -0.00 0.73 -0.32 -2.21 0.00 0.00 174.62 172.78 2jqa s MET 5 N 0.31 0.54 0.12 7.08 -2.45 -1.26 -5.15 119.30 118.49 2jqa s MET 5 Ca -0.00 0.13 -0.29 0.00 -1.25 0.00 0.00 55.69 54.28 2jqa s MET 5 Cb -0.05 0.14 -0.06 0.00 1.25 0.00 0.00 34.83 36.11 2jqa s MET 5 CO 0.01 -0.87 0.90 -1.25 1.05 0.00 0.00 175.02 174.86 2jqa s PRO 6 N 2.40 4.67 -0.12 4.11 0.04 -1.26 -5.07 135.00 139.78 2jqa s PRO 6 Ca 0.15 1.35 -0.05 0.00 0.04 0.00 0.00 61.00 62.50 2jqa s PRO 6 Cb -0.05 -3.35 0.06 0.00 0.04 0.00 0.00 34.50 31.20 2jqa s PRO 6 CO -0.18 0.31 0.24 0.00 0.04 0.00 0.00 177.00 177.41 2jqa s ALA 7 N -0.30 -0.48 0.00 8.56 0.00 -1.26 -5.04 121.76 123.25 2jqa s ALA 7 Ca 0.43 0.87 0.02 0.00 0.00 0.00 0.00 51.96 53.28 2jqa s ALA 7 Cb -0.23 -0.91 0.03 0.00 0.00 0.00 0.00 23.12 22.01 2jqa s ALA 7 CO 0.28 -0.55 0.75 1.58 0.00 0.00 0.00 175.76 177.83 2jqa n HIS 8 N 5.16 0.00 -2.42 0.00 -0.00 -1.26 -5.10 115.22 111.60 2jqa n HIS 8 Ca -0.09 -0.11 -0.43 0.00 -0.00 0.00 0.00 57.72 57.09 2jqa n HIS 8 Cb 0.50 0.18 -0.02 0.00 -0.00 0.00 0.00 29.99 30.65 2jqa n HIS 8 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2jqa s THR 9 N 0.00 4.22 0.75 3.57 2.01 -1.26 -5.03 115.64 119.89 2jqa s THR 9 Ca 0.03 1.42 -0.12 0.00 0.31 0.00 0.00 61.69 63.33 2jqa s THR 9 Cb 0.03 -4.08 0.04 0.00 0.01 0.00 0.00 72.50 68.50 2jqa s THR 9 CO -0.01 -0.30 1.12 -2.16 -0.69 0.00 0.00 174.62 172.57 2jqa s PRO 10 N 3.83 2.51 -1.09 4.92 0.04 -1.26 -4.94 135.00 139.00 2jqa s PRO 10 Ca 0.55 0.40 -0.19 0.00 0.04 0.00 0.00 61.00 61.80 2jqa s PRO 10 Cb -0.19 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 2jqa s PRO 10 CO 0.19 -1.27 1.99 -0.35 0.04 0.00 0.00 177.00 177.60 2jqa n PRO 11 N -3.15 2.11 -1.97 0.56 -0.04 -1.26 -4.89 135.00 126.35 2jqa n PRO 11 Ca 0.07 -2.33 -0.38 0.00 -0.04 0.00 0.00 63.50 60.82 2jqa n PRO 11 Cb 0.58 -3.22 -0.03 0.00 -0.04 0.00 0.00 33.50 30.79 2jqa n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jqa n ALA 12 N 8.25 3.30 -2.67 0.55 0.00 -1.26 -4.42 120.51 124.27 2jqa n ALA 12 Ca 0.50 -3.48 -0.04 0.00 0.00 0.00 0.00 53.44 50.41 2jqa n ALA 12 Cb 0.42 -3.56 0.10 0.00 0.00 0.00 0.00 19.45 16.41 2jqa n ALA 12 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2jqa n GLN 13 N 7.66 1.10 -3.66 0.00 7.27 -1.26 -5.15 117.38 123.34 2jqa n GLN 13 Ca 0.48 -1.31 -0.15 0.00 0.07 0.00 0.00 57.00 56.10 2jqa n GLN 13 Cb 0.44 0.18 -0.08 0.00 2.41 0.00 0.00 30.24 33.18 2jqa n GLN 13 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2jqa s THR 14 N 0.14 0.01 -0.30 1.69 -1.32 -1.26 -5.15 115.64 109.45 2jqa s THR 14 Ca 0.13 -0.07 -0.07 0.00 -1.21 0.00 0.00 61.69 60.46 2jqa s THR 14 Cb 0.36 -0.81 0.18 0.00 -1.51 0.00 0.00 72.50 70.72 2jqa s THR 14 CO -0.09 -0.04 0.85 0.00 -2.21 0.00 0.00 174.62 173.13 2jqa s ALA 15 N -0.28 -2.93 0.00 11.08 0.00 -1.26 -5.11 121.76 123.26 2jqa s ALA 15 Ca -0.05 1.60 0.00 0.00 0.00 0.00 0.00 51.96 53.51 2jqa s ALA 15 Cb -0.03 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.72 2jqa s ALA 15 CO 0.03 -1.43 0.09 -0.35 0.00 0.00 0.00 175.76 174.10 2jqa n PRO 16 N 5.45 0.00 -2.70 0.00 -0.04 -1.26 -4.90 135.00 131.55 2jqa n PRO 16 Ca -0.04 0.36 -0.07 0.00 -0.04 0.00 0.00 63.50 63.72 2jqa n PRO 16 Cb 0.53 -0.92 0.11 0.00 -0.04 0.00 0.00 33.50 33.18 2jqa n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jqa n ALA 17 N -1.59 0.72 -1.24 0.55 0.00 -1.26 -5.13 120.51 112.56 2jqa n ALA 17 Ca 0.00 -1.22 0.15 0.00 0.00 0.00 0.00 53.44 52.37 2jqa n ALA 17 Cb 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 2jqa n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jqa n ALA 18 N -0.51 -3.25 -2.74 0.00 0.00 -1.26 -5.02 120.51 107.72 2jqa n ALA 18 Ca -0.05 0.75 -0.05 0.00 0.00 0.00 0.00 53.44 54.10 2jqa n ALA 18 Cb 0.82 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.97 2jqa n ALA 18 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2jqa n GLN 19 N -4.03 0.51 -3.83 0.00 7.27 -1.26 -5.15 117.38 110.89 2jqa n GLN 19 Ca -0.07 -1.73 -0.11 0.00 0.07 0.00 0.00 57.00 55.16 2jqa n GLN 19 Cb 0.59 -1.18 -0.09 0.00 2.41 0.00 0.00 30.24 31.97 2jqa n GLN 19 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 2jqa s LYS 20 N 0.81 0.63 0.18 3.69 -2.85 -1.26 -5.19 119.74 115.74 2jqa s LYS 20 Ca 0.29 -0.45 -0.05 0.00 -1.00 0.00 0.00 55.97 54.76 2jqa s LYS 20 Cb 0.08 0.26 -0.02 0.00 -2.06 0.00 0.00 37.83 36.09 2jqa s LYS 20 CO -0.10 -0.17 0.22 0.00 0.10 0.00 0.00 175.35 175.39 2jqa s ALA 21 N -1.90 0.48 0.00 0.59 0.00 -1.26 -5.16 121.76 114.51 2jqa s ALA 21 Ca -0.10 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.62 2jqa s ALA 21 Cb -0.04 1.03 0.00 0.00 0.00 0.00 0.00 23.12 24.11 2jqa s ALA 21 CO -0.00 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2jqa n GLY 22 N -0.22 4.12 0.00 0.00 0.00 -1.26 -5.19 105.19 102.64 2jqa n GLY 22 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2jqa n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqa n ALA 23 N -0.45 0.00 0.00 4.61 0.00 -1.26 -5.11 120.51 118.31 2jqa n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jqa n ALA 23 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jqa n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jqa n GLN 24 N -1.94 0.00 -2.88 0.00 0.00 -1.26 -5.10 117.38 106.21 2jqa n GLN 24 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.00 56.57 2jqa n GLN 24 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.19 2jqa n GLN 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jqa s ALA 25 N -1.14 3.22 0.05 2.61 0.00 -1.26 -5.03 121.76 120.21 2jqa s ALA 25 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2jqa s ALA 25 Cb 0.00 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 2jqa s ALA 25 CO 0.00 -2.20 -0.04 -0.51 0.00 0.00 0.00 175.76 173.01 2jqa s LEU 26 N 3.70 2.41 -1.14 0.00 1.43 -1.26 -5.07 118.68 118.74 2jqa s LEU 26 Ca 0.31 -0.83 -0.19 0.00 -1.03 0.00 0.00 54.13 52.39 2jqa s LEU 26 Cb -0.12 0.07 -0.05 0.00 0.03 0.00 0.00 46.19 46.12 2jqa s LEU 26 CO 0.21 -0.45 1.99 -0.81 0.23 0.00 0.00 176.35 177.52 2jqa n PRO 27 N 0.60 2.21 -3.57 1.29 -0.04 -1.26 -4.76 135.00 129.46 2jqa n PRO 27 Ca -0.17 -2.42 -0.09 0.00 -0.04 0.00 0.00 63.50 60.78 2jqa n PRO 27 Cb 0.59 -3.27 -0.04 0.00 -0.04 0.00 0.00 33.50 30.74 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 5.38 0.00 -0.03 0.52 0.11 -1.26 -1.00 120.40 124.13 2jqa s VAL 28 Ca 0.56 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.60 2jqa s VAL 28 Cb 0.10 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.98 2jqa s VAL 28 CO 0.05 0.00 0.04 -0.89 -3.33 0.00 0.00 175.10 170.97 2jqa s THR 29 N -1.62 -0.06 0.23 5.04 2.01 0.49 -4.96 115.64 116.78 2jqa s THR 29 Ca 0.01 0.30 -0.13 0.00 0.31 0.00 0.00 61.69 62.19 2jqa s THR 29 Cb -0.01 -0.13 -0.08 0.00 0.01 0.00 0.00 72.50 72.29 2jqa s THR 29 CO -0.02 0.14 0.60 0.54 -0.69 0.00 0.00 174.62 175.19 2jqa s VAL 30 N 1.57 4.83 0.70 3.82 0.11 -1.26 -2.02 120.40 128.14 2jqa s VAL 30 Ca -0.03 0.73 -0.14 0.00 -2.93 0.00 0.00 61.98 59.61 2jqa s VAL 30 Cb -0.13 -3.66 0.02 0.00 -1.53 0.00 0.00 36.38 31.08 2jqa s VAL 30 CO -0.03 0.01 1.14 0.00 -3.33 0.00 0.00 175.10 172.89 2jqa s GLN 31 N -2.56 2.51 -0.23 1.54 0.00 -1.26 -4.96 119.66 114.70 2jqa s GLN 31 Ca 0.46 1.49 0.04 0.00 -0.00 0.00 0.00 55.36 57.34 2jqa s GLN 31 Cb -0.12 -1.91 0.41 0.00 0.00 0.00 0.00 33.01 31.39 2jqa s GLN 31 CO 0.20 -1.50 1.46 0.41 0.00 0.00 0.00 175.29 175.86 2jqa n GLY 32 N -0.28 3.19 0.83 2.60 0.00 -1.26 -5.00 105.19 105.28 2jqa n GLY 32 Ca 0.11 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.26 -0.95 -2.69 4.61 0.00 -1.26 -3.80 120.51 116.15 2jqa n ALA 33 Ca 0.30 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.35 2jqa n ALA 33 Cb 1.09 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.49 2jqa n ALA 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2jqa s THR 34 N 0.00 5.07 0.26 0.00 2.01 -1.16 -4.19 115.64 117.63 2jqa s THR 34 Ca 0.00 1.21 -0.15 0.00 0.31 0.00 0.00 61.69 63.06 2jqa s THR 34 Cb 0.00 -3.94 -0.08 0.00 0.01 0.00 0.00 72.50 68.48 2jqa s THR 34 CO 0.00 0.20 0.68 -0.69 -0.69 0.00 0.00 174.62 174.12 2jqa s VAL 35 N 1.30 4.71 0.15 3.82 1.01 -1.03 -1.33 120.40 129.03 2jqa s VAL 35 Ca 0.31 0.96 0.15 0.00 0.00 0.00 0.00 61.98 63.40 2jqa s VAL 35 Cb -0.16 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.57 2jqa s VAL 35 CO 0.13 -0.01 1.62 0.00 0.00 0.00 0.00 175.10 176.84 2jqa h ALA 36 N 2.78 0.89 0.00 5.51 0.00 -1.15 0.52 119.26 127.81 2jqa h ALA 36 Ca -0.48 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 53.97 2jqa h ALA 36 Cb 1.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2jqa h ALA 36 CO 0.66 0.64 0.00 0.00 0.00 0.00 0.00 179.25 180.55 2jqa n ALA 37 N -2.33 -0.13 -3.42 0.00 0.00 -1.26 -3.19 120.51 110.17 2jqa n ALA 37 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2jqa n ALA 37 Cb 0.60 -0.13 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 2jqa n ALA 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jqa s VAL 38 N -3.00 0.02 0.74 0.00 -7.23 -1.20 -4.37 120.40 105.35 2jqa s VAL 38 Ca 0.00 -0.15 -0.11 0.00 -1.81 0.00 0.00 61.98 59.91 2jqa s VAL 38 Cb 0.00 -0.83 0.03 0.00 0.56 0.00 0.00 36.38 36.14 2jqa s VAL 38 CO 0.00 -0.08 1.07 -2.16 -0.31 0.00 0.00 175.10 173.62 2jqa s PRO 39 N -0.89 2.60 0.33 4.82 0.04 -1.26 -4.39 135.00 136.24 2jqa s PRO 39 Ca -0.09 0.85 0.23 0.00 0.04 0.00 0.00 61.00 62.03 2jqa s PRO 39 Cb -0.03 -1.96 1.19 0.00 0.04 0.00 0.00 34.50 33.75 2jqa s PRO 39 CO 0.06 -1.31 1.72 -1.00 0.04 0.00 0.00 177.00 176.51 2jqa h PRO 40 N -0.87 0.00 0.00 0.56 0.13 -1.98 -2.25 132.00 127.59 2jqa h PRO 40 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2jqa h PRO 40 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2jqa h PRO 40 CO 0.57 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.79 2jqa n SER 41 N -2.31 0.31 -4.34 1.44 2.88 -1.26 -4.70 113.62 105.64 2jqa n SER 41 Ca -0.01 0.54 -0.38 0.00 -1.33 0.00 0.00 58.87 57.70 2jqa n SER 41 Cb 0.09 -0.62 -0.12 0.00 -0.75 0.00 0.00 64.21 62.81 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 -3.06 4.05 -0.24 2.46 1.09 -0.85 -4.98 121.20 119.67 2jqa s ILE 42 Ca 0.11 -0.80 0.02 0.00 -1.10 0.00 0.00 60.65 58.88 2jqa s ILE 42 Cb 0.15 -3.16 0.28 0.00 -1.06 0.00 0.00 42.46 38.67 2jqa s ILE 42 CO 0.49 -0.02 1.33 -2.11 -0.10 0.00 0.00 174.94 174.53 2jqa n ARG 43 N 4.88 1.62 -3.78 2.79 1.85 -1.26 -4.63 116.66 118.13 2jqa n ARG 43 Ca -0.14 -1.23 -0.13 0.00 -1.00 0.00 0.00 57.85 55.36 2jqa n ARG 43 Cb 0.47 -1.51 -0.13 0.00 -1.05 0.00 0.00 32.46 30.23 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 0.03 -0.15 0.20 2.89 1.01 -1.26 -0.31 116.67 119.08 2jqa s ASP 44 Ca 0.23 0.32 -0.03 0.00 0.71 0.00 0.00 52.55 53.78 2jqa s ASP 44 Cb 0.19 0.26 -0.03 0.00 1.01 0.00 0.00 42.92 44.35 2jqa s ASP 44 CO 0.05 -0.10 0.17 0.28 0.21 0.00 0.00 175.17 175.78 2jqa s THR 45 N 0.65 0.01 0.02 -1.27 -1.32 -1.24 -4.89 115.64 107.60 2jqa s THR 45 Ca -0.05 -1.91 0.01 0.00 -1.21 0.00 0.00 61.69 58.54 2jqa s THR 45 Cb -0.06 -2.43 -0.01 0.00 -1.51 0.00 0.00 72.50 68.48 2jqa s THR 45 CO -0.03 -0.02 -0.05 0.00 -2.21 0.00 0.00 174.62 172.30 2jqa s ALA 46 N -4.13 0.37 0.19 11.08 0.00 -1.26 -0.20 121.76 127.80 2jqa s ALA 46 Ca 0.36 -0.49 0.10 0.00 0.00 0.00 0.00 51.96 51.93 2jqa s ALA 46 Cb 0.06 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2jqa s ALA 46 CO 0.11 -0.01 -0.18 0.00 0.00 0.00 0.00 175.76 175.68 2jqa s ALA 47 N -0.89 2.71 0.04 0.00 0.00 0.09 -0.69 121.76 123.01 2jqa s ALA 47 Ca -0.07 -1.59 -0.06 0.00 0.00 0.00 0.00 51.96 50.24 2jqa s ALA 47 Cb -0.07 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 2jqa s ALA 47 CO -0.00 0.44 0.12 1.52 0.00 0.00 0.00 175.76 177.83 2jqa s TYR 48 N -1.72 0.19 -0.23 0.00 -0.85 -0.44 -3.25 117.35 111.05 2jqa s TYR 48 Ca 0.23 -0.50 -0.35 0.00 -0.52 0.00 0.00 57.07 55.93 2jqa s TYR 48 Cb -0.08 -0.13 0.15 0.00 0.38 0.00 0.00 41.96 42.28 2jqa s TYR 48 CO 0.12 -0.39 1.27 0.00 -1.52 0.00 0.00 175.55 175.03 2jqa s MET 49 N -2.78 0.21 0.00 -3.49 0.23 0.31 -2.99 119.30 110.79 2jqa s MET 49 Ca -0.03 -0.06 0.00 0.00 -1.03 0.00 0.00 55.69 54.56 2jqa s MET 49 Cb -0.00 0.10 0.00 0.00 -1.53 0.00 0.00 34.83 33.40 2jqa s MET 49 CO -0.05 -0.09 0.00 2.41 -2.03 0.00 0.00 175.02 175.26 2jqa n THR 50 N 0.01 0.00 -3.79 3.16 -1.04 -1.26 -1.18 114.28 110.18 2jqa n THR 50 Ca 0.02 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.93 2jqa n THR 50 Cb 0.58 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.05 2jqa n THR 50 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2jqa s LEU 51 N 0.00 0.16 -0.10 -4.42 1.98 -0.92 -4.13 118.68 111.25 2jqa s LEU 51 Ca 0.00 -0.56 -0.06 0.00 -2.89 0.00 0.00 54.13 50.61 2jqa s LEU 51 Cb 0.00 2.06 0.04 0.00 0.66 0.00 0.00 46.19 48.94 2jqa s LEU 51 CO 0.00 -1.06 0.25 -0.89 -1.89 0.00 0.00 176.35 172.76 2jqa s THR 52 N -3.90 -0.03 -0.32 3.68 2.01 -0.86 -4.81 115.64 111.42 2jqa s THR 52 Ca 0.11 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.23 2jqa s THR 52 Cb -0.01 -0.38 0.10 0.00 0.01 0.00 0.00 72.50 72.22 2jqa s THR 52 CO -0.01 0.04 0.05 0.54 -0.69 0.00 0.00 174.62 174.55 2jqa s ASN 53 N 0.90 4.42 -0.19 3.53 4.22 -1.26 -0.38 114.94 126.18 2jqa s ASN 53 Ca -0.06 -1.87 -0.01 0.00 -2.14 0.00 0.00 52.86 48.78 2jqa s ASN 53 Cb -0.07 -1.33 0.09 0.00 1.28 0.00 0.00 41.25 41.22 2jqa s ASN 53 CO -0.06 -0.37 2.18 1.17 -2.04 0.00 0.00 177.10 177.97 2jqa n LYS 54 N 4.50 1.57 -3.71 3.55 4.81 -0.17 -4.77 118.16 123.94 2jqa n LYS 54 Ca -0.00 -1.01 -0.00 0.00 -0.87 0.00 0.00 58.31 56.43 2jqa n LYS 54 Cb 0.42 -1.45 -0.00 0.00 0.02 0.00 0.00 35.03 34.02 2jqa n LYS 54 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2jqa s SER 55 N 0.98 -0.08 0.00 3.14 1.04 -1.26 -4.90 113.70 112.62 2jqa s SER 55 Ca 0.24 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2jqa s SER 55 Cb 0.17 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2jqa s SER 55 CO -0.02 -0.51 0.64 0.47 0.98 0.00 0.00 173.24 174.80 2jqa n ASP 56 N -0.59 1.74 -4.65 7.02 9.92 -1.26 -4.73 116.55 124.01 2jqa n ASP 56 Ca -0.06 -1.28 -0.41 0.00 -0.53 0.00 0.00 54.79 52.50 2jqa n ASP 56 Cb 0.62 -0.35 -0.06 0.00 -0.64 0.00 0.00 41.12 40.69 2jqa n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jqa s GLN 57 N 1.04 4.18 -0.55 -1.24 -2.07 -1.26 -4.84 119.66 114.93 2jqa s GLN 57 Ca 0.00 0.69 -0.23 0.00 -1.82 0.00 0.00 55.36 54.00 2jqa s GLN 57 Cb 0.00 -3.62 0.05 0.00 -1.09 0.00 0.00 33.01 28.35 2jqa s GLN 57 CO 0.00 -0.36 0.86 -1.25 -1.32 0.00 0.00 175.29 173.22 2jqa s PRO 58 N 2.32 3.26 0.02 9.60 0.04 -1.26 -3.95 135.00 145.03 2jqa s PRO 58 Ca 0.30 -0.47 -0.18 0.00 0.04 0.00 0.00 61.00 60.69 2jqa s PRO 58 Cb -0.16 -4.08 -0.06 0.00 0.04 0.00 0.00 34.50 30.25 2jqa s PRO 58 CO 0.09 -1.44 0.50 -1.50 0.04 0.00 0.00 177.00 174.69 2jqa s ILE 59 N 3.61 4.90 -0.13 0.56 1.10 -1.26 -4.96 121.20 125.03 2jqa s ILE 59 Ca 0.26 1.05 0.00 0.00 -0.51 0.00 0.00 60.65 61.45 2jqa s ILE 59 Cb -0.15 -3.82 -0.01 0.00 0.15 0.00 0.00 42.46 38.63 2jqa s ILE 59 CO 0.17 0.54 -0.14 -1.59 -2.11 0.00 0.00 174.94 171.80 2jqa s LYS 60 N -0.89 3.35 -0.21 3.50 -2.85 -1.26 -0.79 119.74 120.59 2jqa s LYS 60 Ca 0.27 -0.70 -0.28 0.00 -1.00 0.00 0.00 55.97 54.26 2jqa s LYS 60 Cb -0.18 -2.60 0.13 0.00 -2.06 0.00 0.00 37.83 33.11 2jqa s LYS 60 CO 0.16 0.22 1.01 -1.17 0.10 0.00 0.00 175.35 175.67 2jqa s LEU 61 N 0.34 -0.40 -0.02 2.77 0.20 -1.21 -4.30 118.68 116.06 2jqa s LEU 61 Ca -0.11 0.58 -0.02 0.00 0.69 0.00 0.00 54.13 55.27 2jqa s LEU 61 Cb -0.16 1.87 -0.27 0.00 -0.43 0.00 0.00 46.19 47.20 2jqa s LEU 61 CO 0.06 -0.27 0.77 -0.37 -0.29 0.00 0.00 176.35 176.25 2jqa h VAL 62 N 2.97 1.04 0.00 1.68 -1.51 -1.85 0.64 116.25 119.22 2jqa h VAL 62 Ca -0.22 -2.72 0.00 0.00 -1.23 0.00 0.00 66.70 62.53 2jqa h VAL 62 Cb 1.17 2.69 0.00 0.00 -2.13 0.00 0.00 31.29 33.01 2jqa h VAL 62 CO 0.23 0.79 0.00 0.61 -1.23 0.00 0.00 177.57 177.98 2jqa n GLY 63 N 1.70 -0.10 3.85 5.19 0.00 -1.26 -3.55 105.19 111.01 2jqa n GLY 63 Ca -0.19 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 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 3.75 0.16 4.61 0.00 -1.26 -4.32 121.76 123.70 2jqa s ALA 64 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 2jqa s ALA 64 Cb 0.00 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 2jqa s ALA 64 CO 0.00 0.52 0.15 0.00 0.00 0.00 0.00 175.76 176.43 2jqa s ALA 65 N -1.07 0.71 -0.17 0.00 0.00 0.10 -4.97 121.76 116.36 2jqa s ALA 65 Ca 0.22 -1.38 -0.28 0.00 0.00 0.00 0.00 51.96 50.51 2jqa s ALA 65 Cb -0.15 1.02 0.10 0.00 0.00 0.00 0.00 23.12 24.09 2jqa s ALA 65 CO 0.11 -0.57 0.87 -0.08 0.00 0.00 0.00 175.76 176.09 2jqa s THR 66 N -4.06 0.00 -2.24 0.00 -1.32 -1.26 -1.08 115.64 105.67 2jqa s THR 66 Ca 0.27 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.94 2jqa s THR 66 Cb 0.06 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.48 2jqa s THR 66 CO 0.05 0.00 1.47 -0.81 -2.21 0.00 0.00 174.62 173.12 2jqa n PRO 67 N 1.40 1.88 0.14 7.08 -0.04 -1.26 -4.43 135.00 139.77 2jqa n PRO 67 Ca -0.14 -1.34 0.13 0.00 -0.04 0.00 0.00 63.50 62.11 2jqa n PRO 67 Cb 0.57 -1.39 0.40 0.00 -0.04 0.00 0.00 33.50 33.03 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 2.55 0.00 -9.87 1.53 -0.00 -1.97 -3.44 115.31 104.11 2jqa h LEU 68 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 57.88 57.27 2jqa h LEU 68 Cb 0.57 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.18 2jqa h LEU 68 CO 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 178.44 178.05 2jqa s ALA 69 N -3.19 3.87 0.23 1.53 0.00 -1.26 -4.18 121.76 118.76 2jqa s ALA 69 Ca 0.08 -0.64 0.23 0.00 0.00 0.00 0.00 51.96 51.63 2jqa s ALA 69 Cb 0.10 -2.02 1.01 0.00 0.00 0.00 0.00 23.12 22.21 2jqa s ALA 69 CO 0.57 0.70 1.88 1.15 0.00 0.00 0.00 175.76 180.06 2jqa h THR 70 N 2.46 0.66 -1.89 0.00 2.02 -1.06 -3.39 112.91 111.71 2jqa h THR 70 Ca -0.47 -1.05 -0.38 0.00 0.77 0.00 0.00 66.41 65.28 2jqa h THR 70 Cb 1.18 1.68 -0.30 0.00 -1.74 0.00 0.00 68.15 68.96 2jqa h THR 70 CO 0.71 0.23 -0.71 -0.44 0.37 0.00 0.00 175.52 175.68 2jqa s SER 71 N -6.26 0.83 0.08 4.18 0.01 -0.38 -5.01 113.70 107.15 2jqa s SER 71 Ca -0.01 -1.87 -0.31 0.00 1.31 0.00 0.00 55.95 55.08 2jqa s SER 71 Cb 0.11 0.58 -0.08 0.00 0.21 0.00 0.00 66.02 66.84 2jqa s SER 71 CO 0.64 -0.21 1.60 -2.16 0.41 0.00 0.00 173.24 173.51 2jqa s PRO 72 N 1.11 4.22 -0.08 12.44 0.04 -1.26 -2.54 135.00 148.92 2jqa s PRO 72 Ca 0.21 2.29 -0.01 0.00 0.04 0.00 0.00 61.00 63.54 2jqa s PRO 72 Cb -0.10 -3.49 0.03 0.00 0.04 0.00 0.00 34.50 30.98 2jqa s PRO 72 CO -0.06 -0.68 -0.03 1.41 0.04 0.00 0.00 177.00 177.69 2jqa s MET 73 N 2.23 0.90 -0.11 4.56 1.75 -0.17 -4.97 119.30 123.49 2jqa s MET 73 Ca 0.72 -0.02 -0.04 0.00 -1.25 0.00 0.00 55.69 55.09 2jqa s MET 73 Cb -0.40 -1.13 0.06 0.00 2.84 0.00 0.00 34.83 36.20 2jqa s MET 73 CO 0.31 -0.26 0.21 -0.48 -0.65 0.00 0.00 175.02 174.16 2jqa s LEU 74 N 1.75 -0.19 0.36 4.11 2.34 -1.26 -0.39 118.68 125.39 2jqa s LEU 74 Ca 0.03 0.47 0.06 0.00 0.06 0.00 0.00 54.13 54.74 2jqa s LEU 74 Cb -0.13 0.49 -0.03 0.00 -0.56 0.00 0.00 46.19 45.97 2jqa s LEU 74 CO -0.05 -0.24 0.23 -0.04 -1.06 0.00 0.00 176.35 175.18 2jqa s MET 75 N 2.36 1.82 -0.29 1.48 -1.94 -0.49 -3.93 119.30 118.31 2jqa s MET 75 Ca 0.02 -2.07 -0.27 0.00 -1.71 0.00 0.00 55.69 51.65 2jqa s MET 75 Cb -0.12 0.02 0.19 0.00 2.01 0.00 0.00 34.83 36.93 2jqa s MET 75 CO -0.07 -0.60 1.40 -0.08 -0.01 0.00 0.00 175.02 175.66 2jqa s THR 76 N -3.37 0.00 -0.27 2.05 -1.32 -0.36 -3.33 115.64 109.03 2jqa s THR 76 Ca 0.35 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.57 2jqa s THR 76 Cb 0.02 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.16 2jqa s THR 76 CO 0.23 0.00 1.17 -0.89 -2.21 0.00 0.00 174.62 172.92 2jqa s THR 77 N -0.60 0.00 0.00 5.08 2.01 -1.26 -4.40 115.64 116.47 2jqa s THR 77 Ca 0.08 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.08 2jqa s THR 77 Cb -0.03 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.48 2jqa s THR 77 CO -0.11 0.00 0.00 1.07 -0.69 0.00 0.00 174.62 174.89 2jqa n THR 78 N 1.74 0.00 -2.05 -0.82 5.66 -1.23 -4.17 114.28 113.41 2jqa n THR 78 Ca -0.11 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.51 2jqa n THR 78 Cb 0.57 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.31 2jqa n THR 78 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 2jqa s HIS 79 N -2.00 1.68 0.00 1.09 2.46 -1.26 -4.07 115.29 113.19 2jqa s HIS 79 Ca 0.00 0.76 0.00 0.00 0.47 0.00 0.00 55.06 56.29 2jqa s HIS 79 Cb 0.00 -4.10 0.00 0.00 -0.13 0.00 0.00 32.58 28.35 2jqa s HIS 79 CO 0.00 -2.27 0.00 0.45 -2.47 0.00 0.00 174.74 170.45 2jqa n SER 80 N 12.78 0.00 -2.80 9.88 2.88 -1.10 -4.96 113.62 130.31 2jqa n SER 80 Ca 0.21 0.19 -0.10 0.00 -1.33 0.00 0.00 58.87 57.84 2jqa n SER 80 Cb 0.52 -0.20 0.06 0.00 -0.75 0.00 0.00 64.21 63.84 2jqa n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jqa n GLY 81 N 2.28 0.89 0.00 0.46 0.00 -1.23 -4.96 105.19 102.64 2jqa n GLY 81 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.63 0.63 3.30 -0.02 0.00 -1.26 -4.41 105.19 104.05 2jqa n GLY 82 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.64 1.25 0.32 1.61 0.00 -1.26 -5.16 119.30 115.41 2jqa s MET 83 Ca 0.00 -1.14 -0.15 0.00 0.00 0.00 0.00 55.69 54.40 2jqa s MET 83 Cb 0.00 -1.51 0.02 0.00 0.00 0.00 0.00 34.83 33.34 2jqa s MET 83 CO 0.00 0.36 0.66 0.00 0.00 0.00 0.00 175.02 176.04 2jqa s ALA 84 N -1.05 -0.62 0.00 4.11 0.00 -1.26 -2.71 121.76 120.23 2jqa s ALA 84 Ca 0.08 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2jqa s ALA 84 Cb -0.10 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.90 2jqa s ALA 84 CO 0.04 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.25 2jqa n GLY 85 N -0.48 -0.28 3.64 0.00 0.00 -1.26 -4.77 105.19 102.05 2jqa n GLY 85 Ca -0.04 -0.90 -0.06 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.00 0.59 -1.14 1.61 -2.45 -1.26 -3.48 119.30 111.17 2jqa s MET 86 Ca 0.00 0.96 -0.01 0.00 -1.25 0.00 0.00 55.69 55.39 2jqa s MET 86 Cb 0.00 0.15 0.00 0.00 1.25 0.00 0.00 34.83 36.23 2jqa s MET 86 CO 0.00 -0.11 0.95 1.17 1.05 0.00 0.00 175.02 178.08 2jqa n LYS 87 N 3.78 -6.33 -3.34 4.11 3.00 -1.26 -4.93 118.16 113.18 2jqa n LYS 87 Ca -0.18 0.80 -0.21 0.00 -0.00 0.00 0.00 58.31 58.71 2jqa n LYS 87 Cb 0.58 -5.67 -0.09 0.00 0.00 0.00 0.00 35.03 29.85 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 -5.35 0.71 0.33 1.64 -1.94 -1.26 -5.00 119.30 108.43 2jqa s MET 88 Ca 0.04 -1.27 0.00 0.00 -1.71 0.00 0.00 55.69 52.75 2jqa s MET 88 Cb -0.02 -0.96 0.00 0.00 2.01 0.00 0.00 34.83 35.86 2jqa s MET 88 CO 0.69 -1.25 0.00 0.28 -0.01 0.00 0.00 175.02 174.72 2jqa n VAL 89 N 3.78 -0.77 0.00 -6.03 0.31 -1.26 -4.77 118.33 109.58 2jqa n VAL 89 Ca 0.16 0.58 -0.20 0.00 -0.01 0.00 0.00 64.34 64.87 2jqa n VAL 89 Cb 0.45 -0.91 -0.14 0.00 -0.91 0.00 0.00 33.84 32.33 2jqa n VAL 89 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2jqa n PRO 90 N -2.98 0.75 -0.99 5.55 -0.02 -1.25 -1.23 135.00 134.83 2jqa n PRO 90 Ca -0.04 0.26 0.09 0.00 -2.02 0.00 0.00 63.50 61.80 2jqa n PRO 90 Cb 0.34 -1.72 -0.04 0.00 -0.02 0.00 0.00 33.50 32.07 2jqa n PRO 90 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2jqa n TRP 91 N -3.44 -1.91 -2.35 6.00 2.14 -1.23 -4.60 117.44 112.05 2jqa n TRP 91 Ca -0.31 1.01 0.01 0.00 2.07 0.00 0.00 57.50 60.28 2jqa n TRP 91 Cb 1.05 -1.74 -0.01 0.00 -0.81 0.00 0.00 31.31 29.80 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 -3.24 0.39 -4.68 5.67 0.00 0.11 -4.50 117.00 110.75 2jqa n LEU 92 Ca -0.02 -2.00 -0.42 0.00 0.00 0.00 0.00 56.01 53.57 2jqa n LEU 92 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.95 2jqa n LEU 92 CO 0.02 0.80 0.67 0.28 0.00 0.00 0.00 177.39 179.15 2jqa s THR 93 N 0.00 4.85 -0.26 1.96 -1.32 -0.55 -3.30 115.64 117.03 2jqa s THR 93 Ca 0.24 1.78 -0.09 0.00 -1.21 0.00 0.00 61.69 62.40 2jqa s THR 93 Cb 0.27 -4.20 -0.04 0.00 -1.51 0.00 0.00 72.50 67.02 2jqa s THR 93 CO -0.12 0.03 0.14 -0.63 -2.21 0.00 0.00 174.62 171.83 2jqa s ILE 94 N 2.02 4.96 -1.37 5.08 1.09 0.03 -4.85 121.20 128.15 2jqa s ILE 94 Ca 0.42 0.05 -0.09 0.00 -1.10 0.00 0.00 60.65 59.92 2jqa s ILE 94 Cb -0.17 -3.33 -0.12 0.00 -1.06 0.00 0.00 42.46 37.78 2jqa s ILE 94 CO 0.15 0.31 3.04 -0.81 -0.10 0.00 0.00 174.94 177.53 2jqa n PRO 95 N 4.80 3.41 -0.27 2.79 -0.04 -1.26 -4.03 135.00 140.40 2jqa n PRO 95 Ca -0.15 -2.00 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 2jqa n PRO 95 Cb 0.52 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 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 3.43 0.00 -1.26 0.55 0.00 -1.25 -3.47 120.51 118.51 2jqa n ALA 96 Ca 0.73 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.17 2jqa n ALA 96 Cb 0.33 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2jqa n ALA 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2jqa n ARG 97 N -1.25 0.00 -0.03 0.00 0.63 -1.26 -3.98 116.66 110.76 2jqa n ARG 97 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2jqa n ARG 97 Cb 0.00 -0.00 -0.14 0.00 0.45 0.00 0.00 32.46 32.77 2jqa n ARG 97 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jqa n GLY 98 N 0.00 -1.06 1.94 5.14 0.00 -1.23 -4.92 105.19 105.07 2jqa n GLY 98 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2jqa n GLY 98 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jqa n THR 99 N -2.60-11.71 -1.84 2.61 -1.04 -1.26 -3.49 114.28 94.95 2jqa n THR 99 Ca -0.16 3.14 -0.42 0.00 -2.04 0.00 0.00 64.05 64.56 2jqa n THR 99 Cb 0.86 -5.02 -0.03 0.00 -1.82 0.00 0.00 70.33 64.32 2jqa n THR 99 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2jqa s LEU 100 N -0.75 4.19 -0.31 -4.42 1.98 -1.26 -4.78 118.68 113.34 2jqa s LEU 100 Ca 0.00 2.27 -0.04 0.00 -2.89 0.00 0.00 54.13 53.47 2jqa s LEU 100 Cb 0.00 -3.53 0.04 0.00 0.66 0.00 0.00 46.19 43.36 2jqa s LEU 100 CO 0.00 -1.16 0.04 -0.89 -1.89 0.00 0.00 176.35 172.45 2jqa s THR 101 N 4.91 3.36 -0.54 3.68 2.01 -1.26 -2.16 115.64 125.63 2jqa s THR 101 Ca 0.82 -1.18 0.06 0.00 0.31 0.00 0.00 61.69 61.71 2jqa s THR 101 Cb -0.36 -2.87 0.22 0.00 0.01 0.00 0.00 72.50 69.51 2jqa s THR 101 CO 0.35 -0.07 0.57 -0.11 -0.69 0.00 0.00 174.62 174.67 2jqa n LEU 102 N 4.72 1.90 -4.18 4.42 7.94 -0.33 -4.79 117.00 126.68 2jqa n LEU 102 Ca -0.13 -5.01 -0.11 0.00 -1.11 0.00 0.00 56.01 49.64 2jqa n LEU 102 Cb 0.45 -0.11 -0.10 0.00 0.53 0.00 0.00 43.42 44.19 2jqa n LEU 102 CO 0.29 1.97 -0.26 -1.10 -1.11 0.00 0.00 177.39 177.18 2jqa s GLN 103 N -1.51 1.09 0.00 1.96 1.11 -1.26 -0.53 119.66 120.52 2jqa s GLN 103 Ca 0.35 -1.55 0.00 0.00 0.01 0.00 0.00 55.36 54.17 2jqa s GLN 103 Cb 0.10 0.26 0.00 0.00 -1.01 0.00 0.00 33.01 32.36 2jqa s GLN 103 CO -0.10 -0.33 0.12 2.89 0.01 0.00 0.00 175.29 177.87 2jqa n ARG 104 N -0.20 0.00 0.24 2.91 -4.01 -1.26 -3.17 116.66 111.17 2jqa n ARG 104 Ca -0.01 0.00 0.16 0.00 -1.04 0.00 0.00 57.85 56.96 2jqa n ARG 104 Cb 0.65 -1.15 0.81 0.00 -3.04 0.00 0.00 32.46 29.73 2jqa n ARG 104 CO 0.00 0.00 0.00 -0.44 -3.04 0.00 0.00 177.63 174.15 2jqa h ASP 105 N 0.00 0.00 0.00 2.89 5.19 -1.96 -3.37 116.42 119.17 2jqa h ASP 105 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2jqa h ASP 105 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2jqa h ASP 105 CO 0.00 0.00 -0.11 0.61 -3.12 0.00 0.00 179.24 176.62 2jqa n GLY 106 N -0.77 0.00 3.68 2.75 0.00 -1.19 -4.87 105.19 104.79 2jqa n GLY 106 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 2jqa n GLY 106 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jqa s ASP 107 N -4.91 -0.04 0.00 1.61 -1.08 -1.23 -4.92 116.67 106.10 2jqa s ASP 107 Ca 0.00 -0.13 0.00 0.00 -0.52 0.00 0.00 52.55 51.90 2jqa s ASP 107 Cb 0.00 0.14 0.00 0.00 -1.46 0.00 0.00 42.92 41.60 2jqa s ASP 107 CO 0.00 -0.26 0.00 0.00 0.52 0.00 0.00 175.17 175.43 2jqa n HIS 108 N -0.57 0.00 -4.63 -5.34 1.44 -1.21 -4.04 115.22 100.87 2jqa n HIS 108 Ca -0.06 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.32 2jqa n HIS 108 Cb 0.62 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.57 2jqa n HIS 108 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2jqa s VAL 109 N -0.26 2.16 -0.09 0.61 0.11 -1.20 -1.39 120.40 120.35 2jqa s VAL 109 Ca 0.00 -0.94 -0.02 0.00 -2.93 0.00 0.00 61.98 58.09 2jqa s VAL 109 Cb 0.00 -1.87 -0.03 0.00 -1.53 0.00 0.00 36.38 32.94 2jqa s VAL 109 CO 0.00 0.54 -0.01 -0.04 -3.33 0.00 0.00 175.10 172.27 2jqa s MET 110 N 0.83 2.97 -1.01 1.54 -1.94 0.47 -0.73 119.30 121.43 2jqa s MET 110 Ca -0.06 -0.42 -0.02 0.00 -1.71 0.00 0.00 55.69 53.47 2jqa s MET 110 Cb -0.15 -2.78 0.30 0.00 2.01 0.00 0.00 34.83 34.21 2jqa s MET 110 CO -0.02 0.69 1.42 1.28 -0.01 0.00 0.00 175.02 178.38 2jqa n LEU 111 N 2.18 6.16 -4.78 -0.03 4.77 0.71 -1.00 117.00 125.01 2jqa n LEU 111 Ca -0.19 -5.28 -0.39 0.00 -0.03 0.00 0.00 56.01 50.13 2jqa n LEU 111 Cb 0.54 -1.17 -0.06 0.00 -2.33 0.00 0.00 43.42 40.40 2jqa n LEU 111 CO 0.28 1.79 0.52 -0.32 -1.33 0.00 0.00 177.39 178.33 2jqa s MET 112 N -2.94 4.57 -0.81 3.23 1.75 -1.05 -3.60 119.30 120.45 2jqa s MET 112 Ca 0.33 1.19 -0.05 0.00 -1.25 0.00 0.00 55.69 55.91 2jqa s MET 112 Cb 0.08 -3.15 0.01 0.00 2.84 0.00 0.00 34.83 34.61 2jqa s MET 112 CO 0.07 0.50 0.70 0.41 -0.65 0.00 0.00 175.02 176.05 2jqa n GLY 113 N 1.31 0.03 3.61 2.11 0.00 -1.23 -1.25 105.19 109.77 2jqa n GLY 113 Ca -0.04 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 2jqa n GLY 113 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jqa s LEU 114 N -4.79 1.06 0.00 0.99 2.96 0.57 -1.02 118.68 118.45 2jqa s LEU 114 Ca 0.30 1.04 0.00 0.00 -0.22 0.00 0.00 54.13 55.25 2jqa s LEU 114 Cb -0.13 -3.01 0.00 0.00 0.50 0.00 0.00 46.19 43.55 2jqa s LEU 114 CO 0.44 -3.70 0.00 0.29 -1.32 0.00 0.00 176.35 172.06 2jqa n LYS 115 N -4.53 1.24 -3.35 1.98 5.02 -1.26 -4.83 118.16 112.43 2jqa n LYS 115 Ca 0.07 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.38 2jqa n LYS 115 Cb 0.58 -0.96 -0.04 0.00 -0.02 0.00 0.00 35.03 34.59 2jqa n LYS 115 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2jqa s ARG 116 N -1.87 0.24 0.70 1.97 3.52 -1.26 -5.08 118.95 117.17 2jqa s ARG 116 Ca 0.00 0.59 -0.06 0.00 -0.13 0.00 0.00 55.73 56.13 2jqa s ARG 116 Cb 0.00 0.36 0.06 0.00 -1.56 0.00 0.00 34.95 33.80 2jqa s ARG 116 CO 0.00 -0.08 1.01 -1.25 -0.81 0.00 0.00 175.30 174.17 2jqa s PRO 117 N 2.36 2.24 0.19 5.12 0.04 -1.26 -5.12 135.00 138.57 2jqa s PRO 117 Ca -0.02 -0.25 0.09 0.00 0.04 0.00 0.00 61.00 60.87 2jqa s PRO 117 Cb -0.05 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2jqa s PRO 117 CO -0.17 -1.21 -0.18 -0.51 0.04 0.00 0.00 177.00 174.97 2jqa s LEU 118 N -5.23 2.49 0.30 -3.56 1.02 -1.26 -4.96 118.68 107.48 2jqa s LEU 118 Ca 0.60 -0.93 0.10 0.00 0.02 0.00 0.00 54.13 53.92 2jqa s LEU 118 Cb -0.11 -0.86 -0.05 0.00 0.02 0.00 0.00 46.19 45.19 2jqa s LEU 118 CO 0.45 -0.04 -0.07 -1.59 0.02 0.00 0.00 176.35 175.11 2jqa s LYS 119 N -3.10 1.98 0.00 1.70 -2.85 -1.26 -3.27 119.74 112.94 2jqa s LYS 119 Ca 0.20 -1.69 -0.01 0.00 -1.00 0.00 0.00 55.97 53.47 2jqa s LYS 119 Cb -0.05 -1.92 -0.00 0.00 -2.06 0.00 0.00 37.83 33.81 2jqa s LYS 119 CO 0.08 0.26 0.77 1.55 0.10 0.00 0.00 175.35 178.11 2jqa n VAL 120 N -0.81 -0.02 0.94 1.79 3.14 -1.25 -1.03 118.33 121.09 2jqa n VAL 120 Ca -0.05 1.15 0.00 0.00 -2.96 0.00 0.00 64.34 62.48 2jqa n VAL 120 Cb 0.61 -1.53 0.00 0.00 -1.06 0.00 0.00 33.84 31.86 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 -1.01 -0.29 3.79 7.55 0.00 -1.26 -2.73 105.19 111.24 2jqa n GLY 121 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.83 2.88 0.16 1.61 2.12 -0.19 -5.01 118.70 118.43 2jqa s GLU 122 Ca 0.00 -0.89 0.00 0.00 0.36 0.00 0.00 54.97 54.45 2jqa s GLU 122 Cb 0.00 -2.63 -0.04 0.00 0.26 0.00 0.00 34.13 31.72 2jqa s GLU 122 CO 0.00 0.48 0.32 0.95 -0.54 0.00 0.00 175.26 176.47 2jqa s THR 123 N -1.76 5.28 0.02 -1.70 -4.23 -1.26 -2.10 115.64 109.88 2jqa s THR 123 Ca 0.31 -0.46 0.02 0.00 -1.18 0.00 0.00 61.69 60.39 2jqa s THR 123 Cb -0.10 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 70.02 2jqa s THR 123 CO 0.23 -0.08 -0.08 0.68 -0.54 0.00 0.00 174.62 174.84 2jqa s VAL 124 N -1.75 0.58 -0.14 2.29 -7.23 0.32 -4.93 120.40 109.54 2jqa s VAL 124 Ca 0.37 -0.64 -0.26 0.00 -1.81 0.00 0.00 61.98 59.63 2jqa s VAL 124 Cb -0.11 -0.55 -0.02 0.00 0.56 0.00 0.00 36.38 36.26 2jqa s VAL 124 CO 0.28 -0.06 0.86 0.20 -0.31 0.00 0.00 175.10 176.08 2jqa s ASN 125 N -0.77 7.03 0.18 4.85 -0.87 -1.26 -1.18 114.94 122.92 2jqa s ASN 125 Ca -0.02 1.27 0.04 0.00 -1.57 0.00 0.00 52.86 52.58 2jqa s ASN 125 Cb -0.06 -2.48 -0.05 0.00 -0.02 0.00 0.00 41.25 38.65 2jqa s ASN 125 CO 0.00 -0.39 -0.07 -0.51 -2.57 0.00 0.00 177.10 173.56 2jqa s ILE 126 N 1.99 1.18 -0.08 0.60 -1.16 -0.31 -4.66 121.20 118.77 2jqa s ILE 126 Ca 0.41 -2.07 -0.10 0.00 -0.51 0.00 0.00 60.65 58.38 2jqa s ILE 126 Cb -0.17 -2.03 0.02 0.00 0.61 0.00 0.00 42.46 40.89 2jqa s ILE 126 CO 0.14 -0.59 0.26 -0.89 -2.81 0.00 0.00 174.94 171.05 2jqa s THR 127 N -3.32 0.02 -0.37 4.00 2.01 -0.24 -0.60 115.64 117.14 2jqa s THR 127 Ca 0.21 -0.15 0.13 0.00 0.31 0.00 0.00 61.69 62.18 2jqa s THR 127 Cb 0.03 -0.43 0.42 0.00 0.01 0.00 0.00 72.50 72.53 2jqa s THR 127 CO 0.04 -0.08 1.23 0.00 -0.69 0.00 0.00 174.62 175.11 2jqa n LEU 128 N 2.50 -0.68 -4.76 4.42 -0.00 -1.02 -0.72 117.00 116.74 2jqa n LEU 128 Ca -0.15 -3.52 -0.41 0.00 -0.00 0.00 0.00 56.01 51.92 2jqa n LEU 128 Cb 0.57 0.17 -0.02 0.00 -0.00 0.00 0.00 43.42 44.15 2jqa n LEU 128 CO 0.18 1.76 1.06 -0.75 -0.00 0.00 0.00 177.39 179.64 2jqa s LYS 129 N -1.01 4.28 0.84 1.47 2.20 -0.68 -3.98 119.74 122.86 2jqa s LYS 129 Ca 0.23 2.30 -0.11 0.00 -0.36 0.00 0.00 55.97 58.03 2jqa s LYS 129 Cb 0.42 -3.08 0.10 0.00 -1.51 0.00 0.00 37.83 33.76 2jqa s LYS 129 CO -0.05 -0.34 1.09 0.00 -0.36 0.00 0.00 175.35 175.69 2jqa s ALA 130 N -0.58 1.87 0.55 3.13 0.00 -0.20 -3.55 121.76 122.98 2jqa s ALA 130 Ca 0.54 -0.01 0.46 0.00 0.00 0.00 0.00 51.96 52.95 2jqa s ALA 130 Cb -0.41 -3.19 1.68 0.00 0.00 0.00 0.00 23.12 21.19 2jqa s ALA 130 CO 0.49 -2.07 1.64 1.79 0.00 0.00 0.00 175.76 177.61 2jqa h THR 131 N -1.34 0.12 0.00 0.00 1.35 -1.93 -2.89 112.91 108.21 2jqa h THR 131 Ca -0.47 -0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.15 2jqa h THR 131 Cb 1.27 0.11 -0.15 0.00 -1.73 0.00 0.00 68.15 67.65 2jqa h THR 131 CO 0.55 0.00 -0.42 -0.67 -0.25 0.00 0.00 175.52 174.73 2jqa n ASP 132 N -4.04 -2.31 0.00 5.36 2.03 -1.26 -5.15 116.55 111.19 2jqa n ASP 132 Ca 0.39 -3.63 0.00 0.00 0.52 0.00 0.00 54.79 52.07 2jqa n ASP 132 Cb 1.79 1.90 0.00 0.00 -0.72 0.00 0.00 41.12 44.10 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 0.36 -0.62 7.00 0.27 0.00 -1.09 -5.14 105.19 105.97 2jqa n GLY 133 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2jqa n GLY 133 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jqa n ARG 134 N 0.00 0.00 -3.81 1.61 0.00 -1.26 -1.04 116.66 112.16 2jqa n ARG 134 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.72 2jqa n ARG 134 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.32 2jqa n ARG 134 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2jqa s THR 135 N 0.00 -0.02 0.00 5.15 2.01 -1.26 -4.85 115.64 116.67 2jqa s THR 135 Ca 0.00 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.09 2jqa s THR 135 Cb 0.00 -0.12 0.00 0.00 0.01 0.00 0.00 72.50 72.39 2jqa s THR 135 CO 0.00 0.04 0.00 0.00 -0.69 0.00 0.00 174.62 173.97 2jqa n LEU 136 N 3.57 0.00 -4.51 4.42 -0.00 -1.26 -1.69 117.00 117.52 2jqa n LEU 136 Ca -0.19 0.00 -0.44 0.00 -0.00 0.00 0.00 56.01 55.38 2jqa n LEU 136 Cb 0.56 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.92 2jqa n LEU 136 CO 0.22 0.00 1.90 -3.20 -0.00 0.00 0.00 177.39 176.32 2jqa n ASN 137 N 0.00 2.33 -4.36 1.45 5.15 -1.26 -3.68 115.26 114.89 2jqa n ASN 137 Ca 0.00 0.12 -0.23 0.00 -0.60 0.00 0.00 54.58 53.87 2jqa n ASN 137 Cb 0.00 -1.39 -0.11 0.00 -0.53 0.00 0.00 39.78 37.75 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 8.86 1.96 -0.05 3.44 1.01 0.24 -5.01 120.40 130.85 2jqa s VAL 138 Ca 1.07 -1.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 2jqa s VAL 138 Cb -0.59 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 2jqa s VAL 138 CO 0.40 -0.28 0.28 0.00 0.00 0.00 0.00 175.10 175.50 2jqa s ALA 139 N -2.00 3.79 0.25 5.51 0.00 -1.26 -1.16 121.76 126.89 2jqa s ALA 139 Ca 0.18 -0.43 0.05 0.00 0.00 0.00 0.00 51.96 51.75 2jqa s ALA 139 Cb -0.06 -2.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.86 2jqa s ALA 139 CO 0.08 0.55 0.23 0.00 0.00 0.00 0.00 175.76 176.62 2jqa n ALA 140 N 1.84 0.43 -2.51 0.00 0.00 -0.32 -4.93 120.51 115.02 2jqa n ALA 140 Ca -0.16 -1.43 -0.18 0.00 0.00 0.00 0.00 53.44 51.67 2jqa n ALA 140 Cb 0.54 1.16 -0.11 0.00 0.00 0.00 0.00 19.45 21.03 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 -2.97 1.31 0.46 0.00 2.01 -1.25 -0.52 115.64 114.67 2jqa s THR 141 Ca 0.29 -1.68 -0.07 0.00 0.31 0.00 0.00 61.69 60.53 2jqa s THR 141 Cb 0.01 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 2jqa s THR 141 CO 0.20 -0.40 0.79 -0.69 -0.69 0.00 0.00 174.62 173.83 2jqa s VAL 142 N -2.07 4.86 -0.29 3.82 1.01 -0.89 -2.46 120.40 124.37 2jqa s VAL 142 Ca 0.08 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2jqa s VAL 142 Cb -0.05 -3.82 0.20 0.00 0.00 0.00 0.00 36.38 32.70 2jqa s VAL 142 CO 0.03 -0.75 0.62 -0.75 0.00 0.00 0.00 175.10 174.25 2jqa s LYS 143 N -4.44 0.54 0.09 2.72 2.20 0.17 -4.42 119.74 116.60 2jqa s LYS 143 Ca 0.49 0.65 -0.31 0.00 -0.36 0.00 0.00 55.97 56.44 2jqa s LYS 143 Cb -0.10 0.32 -0.08 0.00 -1.51 0.00 0.00 37.83 36.46 2jqa s LYS 143 CO 0.41 -0.89 1.41 -1.59 -0.36 0.00 0.00 175.35 174.33 2jqa s LYS 144 N 2.85 4.30 -0.12 4.03 0.00 -1.19 -4.57 119.74 125.03 2jqa s LYS 144 Ca 0.13 2.08 0.05 0.00 0.00 0.00 0.00 55.97 58.23 2jqa s LYS 144 Cb -0.11 -3.32 0.15 0.00 0.00 0.00 0.00 37.83 34.55 2jqa s LYS 144 CO -0.24 -0.48 1.14 -1.71 0.00 0.00 0.00 175.35 174.05 2jqa n ASN 145 N 4.28 -1.09 0.00 0.03 5.15 -1.26 -5.03 115.26 117.34 2jqa n ASN 145 Ca 0.12 -1.95 0.00 0.00 -0.60 0.00 0.00 54.58 52.15 2jqa n ASN 145 Cb 0.42 0.42 0.00 0.00 -0.53 0.00 0.00 39.78 40.09 2jqa n ASN 145 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jqa n ILE 146 N -0.57 0.00 -1.22 -1.44 3.06 -1.26 -5.06 119.36 112.87 2jqa n ILE 146 Ca -0.22 0.00 -0.23 0.00 -2.50 0.00 0.00 62.75 59.79 2jqa n ILE 146 Cb 0.74 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.92 2jqa n ILE 146 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2jqa n GLU 147 N 0.00 2.17 -4.06 9.51 1.02 -1.26 -4.82 120.64 123.20 2jqa n GLU 147 Ca 0.00 -2.12 -0.12 0.00 -0.02 0.00 0.00 57.16 54.90 2jqa n GLU 147 Cb 0.00 -1.92 -0.05 0.00 -0.02 0.00 0.00 31.44 29.45 2jqa n GLU 147 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2jqa s GLY 148 N 0.03 1.09 0.00 0.62 0.00 -1.26 -4.91 107.32 102.89 2jqa s GLY 148 Ca 0.47 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.91 2jqa s GLY 148 CO -0.11 -0.88 0.13 -2.13 0.00 0.00 0.00 173.10 170.11