#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 -2.32 3.72 3.17 0.00 -1.26 -5.13 105.19 103.38 2jqa n GLY 2 Ca 0.00 -2.14 -0.02 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.53 -0.10 -0.29 1.61 5.65 -1.26 -5.20 115.29 115.18 2jqa s HIS 3 Ca 0.00 -0.15 -0.15 0.00 0.25 0.00 0.00 55.06 55.01 2jqa s HIS 3 Cb 0.00 0.62 0.13 0.00 -1.18 0.00 0.00 32.58 32.15 2jqa s HIS 3 CO 0.00 -0.68 0.87 0.99 -0.65 0.00 0.00 174.74 175.27 2jqa s THR 4 N -3.03 -0.27 -0.30 0.89 2.01 -1.26 -5.14 115.64 108.54 2jqa s THR 4 Ca 0.13 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 2jqa s THR 4 Cb 0.00 -1.00 0.18 0.00 0.01 0.00 0.00 72.50 71.69 2jqa s THR 4 CO 0.01 0.00 0.62 -0.32 -0.69 0.00 0.00 174.62 174.24 2jqa s MET 5 N 1.90 0.56 0.41 4.92 -2.45 -1.26 -5.18 119.30 118.21 2jqa s MET 5 Ca -0.07 1.06 -0.03 0.00 -1.25 0.00 0.00 55.69 55.40 2jqa s MET 5 Cb -0.06 0.60 -0.04 0.00 1.25 0.00 0.00 34.83 36.58 2jqa s MET 5 CO -0.17 -0.54 0.67 -1.25 1.05 0.00 0.00 175.02 174.78 2jqa s PRO 6 N 2.87 3.53 -0.13 4.11 0.04 -1.26 -5.13 135.00 139.02 2jqa s PRO 6 Ca 0.16 -0.03 -0.05 0.00 0.04 0.00 0.00 61.00 61.12 2jqa s PRO 6 Cb -0.14 -2.51 0.06 0.00 0.04 0.00 0.00 34.50 31.95 2jqa s PRO 6 CO -0.20 -0.03 0.28 0.00 0.04 0.00 0.00 177.00 177.08 2jqa s ALA 7 N -2.53 -0.63 -0.03 8.56 0.00 -1.26 -5.16 121.76 120.71 2jqa s ALA 7 Ca 0.44 1.03 -0.25 0.00 0.00 0.00 0.00 51.96 53.18 2jqa s ALA 7 Cb -0.10 -0.95 0.05 0.00 0.00 0.00 0.00 23.12 22.13 2jqa s ALA 7 CO 0.40 -0.52 0.55 -1.01 0.00 0.00 0.00 175.76 175.17 2jqa s HIS 8 N 2.10 -0.49 0.00 0.00 3.76 -1.26 -5.17 115.29 114.24 2jqa s HIS 8 Ca -0.02 0.80 0.00 0.00 -0.15 0.00 0.00 55.06 55.69 2jqa s HIS 8 Cb -0.11 0.30 0.00 0.00 1.11 0.00 0.00 32.58 33.88 2jqa s HIS 8 CO -0.09 -0.54 0.00 -2.37 -0.85 0.00 0.00 174.74 170.89 2jqa n THR 9 N 1.00 0.00 -3.32 1.30 5.66 -1.26 -5.19 114.28 112.48 2jqa n THR 9 Ca -0.20 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.43 2jqa n THR 9 Cb 0.57 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.29 2jqa n THR 9 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2jqa s PRO 10 N -0.67 4.08 -0.54 1.09 0.04 -1.26 -5.06 135.00 132.69 2jqa s PRO 10 Ca 0.00 0.61 -0.25 0.00 0.04 0.00 0.00 61.00 61.40 2jqa s PRO 10 Cb 0.00 -3.07 0.04 0.00 0.04 0.00 0.00 34.50 31.51 2jqa s PRO 10 CO 0.00 0.55 0.95 -1.25 0.04 0.00 0.00 177.00 177.29 2jqa s PRO 11 N -1.56 3.37 -0.15 0.56 0.04 -1.26 -5.05 135.00 130.96 2jqa s PRO 11 Ca 0.34 -0.17 -0.06 0.00 0.04 0.00 0.00 61.00 61.15 2jqa s PRO 11 Cb -0.17 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.30 2jqa s PRO 11 CO 0.19 -1.45 0.05 0.00 0.04 0.00 0.00 177.00 175.83 2jqa s ALA 12 N 3.95 3.41 0.14 8.56 0.00 -1.26 -5.11 121.76 131.45 2jqa s ALA 12 Ca 0.32 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.58 2jqa s ALA 12 Cb -0.12 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 2jqa s ALA 12 CO 0.21 0.35 -0.12 -0.65 0.00 0.00 0.00 175.76 175.55 2jqa s GLN 13 N -0.16 1.06 -0.33 0.00 1.11 -1.26 -5.13 119.66 114.95 2jqa s GLN 13 Ca 0.07 -1.36 -0.06 0.00 0.01 0.00 0.00 55.36 54.02 2jqa s GLN 13 Cb -0.12 -0.77 0.23 0.00 -1.01 0.00 0.00 33.01 31.34 2jqa s GLN 13 CO 0.01 0.12 1.15 -2.37 0.01 0.00 0.00 175.29 174.22 2jqa n THR 14 N 0.11 0.00 -2.81 -0.19 5.66 -1.26 -5.17 114.28 110.62 2jqa n THR 14 Ca -0.12 -0.32 -0.40 0.00 -3.05 0.00 0.00 64.05 60.16 2jqa n THR 14 Cb 0.59 0.74 -0.06 0.00 -1.55 0.00 0.00 70.33 70.05 2jqa n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jqa s ALA 15 N 0.70 3.35 0.30 1.79 0.00 -1.26 -5.06 121.76 121.57 2jqa s ALA 15 Ca 0.24 0.54 -0.12 0.00 0.00 0.00 0.00 51.96 52.62 2jqa s ALA 15 Cb 0.16 -3.16 -0.08 0.00 0.00 0.00 0.00 23.12 20.04 2jqa s ALA 15 CO -0.10 0.17 0.67 -1.25 0.00 0.00 0.00 175.76 175.25 2jqa s PRO 16 N -0.88 3.90 0.00 0.00 0.04 -1.26 -5.08 135.00 131.72 2jqa s PRO 16 Ca 0.41 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.95 2jqa s PRO 16 Cb -0.25 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.79 2jqa s PRO 16 CO 0.30 0.19 0.00 0.00 0.04 0.00 0.00 177.00 177.53 2jqa n ALA 17 N -0.41 0.00 -3.10 8.56 0.00 -1.26 -5.21 120.51 119.09 2jqa n ALA 17 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 2jqa n ALA 17 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 2jqa n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jqa s ALA 18 N -1.59 0.25 0.00 0.00 0.00 -1.26 -5.19 121.76 113.97 2jqa s ALA 18 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.75 2jqa s ALA 18 Cb 0.00 1.06 0.00 0.00 0.00 0.00 0.00 23.12 24.18 2jqa s ALA 18 CO 0.00 -0.84 0.00 1.04 0.00 0.00 0.00 175.76 175.96 2jqa n GLN 19 N -0.50 -3.28 -4.52 0.00 1.13 -1.26 -5.21 117.38 103.74 2jqa n GLN 19 Ca -0.01 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.79 2jqa n GLN 19 Cb 0.61 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.88 2jqa n GLN 19 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2jqa s LYS 20 N -1.98 1.94 0.00 -1.09 -2.85 -1.26 -5.13 119.74 109.37 2jqa s LYS 20 Ca 0.00 -2.19 0.00 0.00 -1.00 0.00 0.00 55.97 52.78 2jqa s LYS 20 Cb 0.00 -0.60 0.00 0.00 -2.06 0.00 0.00 37.83 35.17 2jqa s LYS 20 CO 0.00 -0.49 0.00 0.00 0.10 0.00 0.00 175.35 174.96 2jqa n ALA 21 N -0.92 2.08 -2.26 0.59 0.00 -1.26 -5.12 120.51 113.62 2jqa n ALA 21 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 2jqa n ALA 21 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.07 2jqa n ALA 21 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jqa s GLY 22 N -2.71 2.27 -0.23 0.00 0.00 -1.26 -5.02 107.32 100.37 2jqa s GLY 22 Ca 0.00 0.98 -0.04 0.00 0.00 0.00 0.00 44.72 45.66 2jqa s GLY 22 CO 0.00 2.14 0.09 0.00 0.00 0.00 0.00 173.10 175.33 2jqa s ALA 23 N 0.90 0.77 -0.61 3.20 0.00 -1.26 -4.95 121.76 119.81 2jqa s ALA 23 Ca 0.60 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 2jqa s ALA 23 Cb -0.33 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.54 2jqa s ALA 23 CO 0.31 -1.38 0.59 0.94 0.00 0.00 0.00 175.76 176.22 2jqa n GLN 24 N 5.16 -1.21 -2.77 0.00 7.27 -1.26 -5.03 117.38 119.54 2jqa n GLN 24 Ca -0.07 1.40 -0.09 0.00 0.07 0.00 0.00 57.00 58.31 2jqa n GLN 24 Cb 0.46 -5.13 0.08 0.00 2.41 0.00 0.00 30.24 28.06 2jqa n GLN 24 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jqa n ALA 25 N -1.53 -0.01 -3.61 1.69 0.00 -1.26 -5.14 120.51 110.65 2jqa n ALA 25 Ca 0.01 -1.65 -0.30 0.00 0.00 0.00 0.00 53.44 51.49 2jqa n ALA 25 Cb 0.49 -1.10 -0.17 0.00 0.00 0.00 0.00 19.45 18.67 2jqa n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jqa s LEU 26 N -2.49 1.93 -0.05 0.00 1.43 -1.26 -5.05 118.68 113.19 2jqa s LEU 26 Ca 0.24 -0.51 -0.05 0.00 -1.03 0.00 0.00 54.13 52.77 2jqa s LEU 26 Cb 0.32 -1.27 -0.22 0.00 0.03 0.00 0.00 46.19 45.05 2jqa s LEU 26 CO -0.06 0.06 3.46 -0.81 0.23 0.00 0.00 176.35 179.23 2jqa n PRO 27 N 4.06 1.99 -4.68 1.29 -0.04 -1.26 -4.83 135.00 131.54 2jqa n PRO 27 Ca -0.20 -1.09 -0.23 0.00 -0.04 0.00 0.00 63.50 61.94 2jqa n PRO 27 Cb 0.52 -1.97 -0.15 0.00 -0.04 0.00 0.00 33.50 31.85 2jqa n PRO 27 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jqa s VAL 28 N 0.60 1.18 0.01 0.52 1.01 -1.26 -4.51 120.40 117.95 2jqa s VAL 28 Ca 0.63 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 62.04 2jqa s VAL 28 Cb 0.31 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 2jqa s VAL 28 CO -0.02 0.34 -0.08 -0.89 0.00 0.00 0.00 175.10 174.44 2jqa s THR 29 N -0.13 3.51 0.11 3.92 2.01 -1.22 -5.02 115.64 118.83 2jqa s THR 29 Ca 0.01 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.22 2jqa s THR 29 Cb -0.08 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 2jqa s THR 29 CO 0.00 0.39 -0.11 0.68 -0.69 0.00 0.00 174.62 174.90 2jqa s VAL 30 N -0.98 1.05 0.36 3.82 -7.23 -1.26 -0.65 120.40 115.50 2jqa s VAL 30 Ca 0.17 -1.77 -0.27 0.00 -1.81 0.00 0.00 61.98 58.30 2jqa s VAL 30 Cb -0.11 -1.52 -0.09 0.00 0.56 0.00 0.00 36.38 35.22 2jqa s VAL 30 CO 0.07 -0.60 1.15 0.00 -0.31 0.00 0.00 175.10 175.41 2jqa s GLN 31 N -3.06 4.28 0.00 4.82 0.00 -1.00 -4.84 119.66 119.85 2jqa s GLN 31 Ca 0.09 1.84 0.25 0.00 -0.00 0.00 0.00 55.36 57.54 2jqa s GLN 31 Cb -0.01 -2.86 0.47 0.00 0.00 0.00 0.00 33.01 30.60 2jqa s GLN 31 CO 0.00 -0.12 1.41 0.41 0.00 0.00 0.00 175.29 176.99 2jqa n GLY 32 N 0.78 0.40 1.33 2.60 0.00 -1.26 -5.04 105.19 104.01 2jqa n GLY 32 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.60 -1.88 -2.90 4.61 0.00 -1.26 -4.13 120.51 115.54 2jqa n ALA 33 Ca 0.15 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.83 2jqa n ALA 33 Cb 0.48 -1.26 -0.14 0.00 0.00 0.00 0.00 19.45 18.53 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 -3.22 0.12 0.13 0.00 2.01 -1.17 -2.77 115.64 110.73 2jqa s THR 34 Ca 0.00 -0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.02 2jqa s THR 34 Cb 0.00 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 72.36 2jqa s THR 34 CO 0.00 0.04 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.21 2jqa s VAL 35 N 0.04 3.50 -0.51 3.82 1.01 -1.00 -1.92 120.40 125.34 2jqa s VAL 35 Ca -0.00 -1.32 -0.27 0.00 0.00 0.00 0.00 61.98 60.40 2jqa s VAL 35 Cb -0.02 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2jqa s VAL 35 CO -0.00 0.04 2.05 0.00 0.00 0.00 0.00 175.10 177.19 2jqa s ALA 36 N -1.39 2.13 0.30 5.51 0.00 0.51 -1.06 121.76 127.76 2jqa s ALA 36 Ca 0.24 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.69 2jqa s ALA 36 Cb -0.10 -4.26 -0.13 0.00 0.00 0.00 0.00 23.12 18.62 2jqa s ALA 36 CO 0.15 -3.83 1.22 0.00 0.00 0.00 0.00 175.76 173.30 2jqa n ALA 37 N 13.36 0.68 -3.38 0.00 0.00 -1.26 -4.67 120.51 125.24 2jqa n ALA 37 Ca 0.27 0.38 -0.15 0.00 0.00 0.00 0.00 53.44 53.94 2jqa n ALA 37 Cb 0.52 -2.17 -0.06 0.00 0.00 0.00 0.00 19.45 17.74 2jqa n ALA 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jqa s VAL 38 N -0.84 0.02 0.87 0.00 1.01 -0.92 -4.55 120.40 115.99 2jqa s VAL 38 Ca 0.60 -0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.30 2jqa s VAL 38 Cb -0.64 -0.95 0.11 0.00 0.00 0.00 0.00 36.38 34.91 2jqa s VAL 38 CO 0.59 -0.09 1.09 -2.16 0.00 0.00 0.00 175.10 174.53 2jqa s PRO 39 N -1.95 1.46 0.73 2.72 0.04 -1.26 -4.39 135.00 132.34 2jqa s PRO 39 Ca -0.08 0.90 -0.11 0.00 0.04 0.00 0.00 61.00 61.75 2jqa s PRO 39 Cb -0.01 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.73 2jqa s PRO 39 CO 0.02 -2.12 1.08 -1.25 0.04 0.00 0.00 177.00 174.78 2jqa s PRO 40 N -4.92 2.58 0.00 0.56 0.04 -1.26 -3.46 135.00 128.54 2jqa s PRO 40 Ca 0.63 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2jqa s PRO 40 Cb -0.18 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2jqa s PRO 40 CO 0.57 -1.39 0.00 0.45 0.04 0.00 0.00 177.00 176.67 2jqa n SER 41 N -3.19 0.00 -4.70 6.66 2.88 -1.26 -5.02 113.62 108.99 2jqa n SER 41 Ca 0.09 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.22 2jqa n SER 41 Cb 0.53 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 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 -1.11 4.92 -0.23 2.46 -1.09 -1.22 -4.96 121.20 119.97 2jqa s ILE 42 Ca 0.00 1.78 0.12 0.00 -2.23 0.00 0.00 60.65 60.32 2jqa s ILE 42 Cb 0.00 -4.19 0.47 0.00 -1.58 0.00 0.00 42.46 37.15 2jqa s ILE 42 CO 0.00 0.15 1.38 -2.11 -1.23 0.00 0.00 174.94 173.13 2jqa n ARG 43 N 4.20 1.97 -4.01 2.79 1.85 -1.26 -4.22 116.66 117.98 2jqa n ARG 43 Ca 0.04 -3.04 -0.16 0.00 -1.00 0.00 0.00 57.85 53.68 2jqa n ARG 43 Cb 0.50 -1.75 -0.15 0.00 -1.05 0.00 0.00 32.46 30.01 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 -2.55 0.45 0.30 2.89 1.11 -1.26 0.32 116.67 117.94 2jqa s ASP 44 Ca 0.41 -0.05 0.01 0.00 0.18 0.00 0.00 52.55 53.10 2jqa s ASP 44 Cb 0.37 -0.17 -0.00 0.00 1.07 0.00 0.00 42.92 44.19 2jqa s ASP 44 CO 0.01 -0.04 0.38 0.35 1.18 0.00 0.00 175.17 177.06 2jqa n THR 45 N 3.66 0.00 -4.04 -1.27 -2.24 -1.05 -5.03 114.28 104.33 2jqa n THR 45 Ca -0.21 -1.72 -0.10 0.00 -2.27 0.00 0.00 64.05 59.75 2jqa n THR 45 Cb 0.54 0.99 -0.08 0.00 -2.10 0.00 0.00 70.33 69.68 2jqa n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jqa s ALA 46 N -2.78 0.35 0.02 6.98 0.00 -1.26 -0.62 121.76 124.44 2jqa s ALA 46 Ca 0.28 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 2jqa s ALA 46 Cb -0.00 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 2jqa s ALA 46 CO 0.20 -0.59 0.04 0.00 0.00 0.00 0.00 175.76 175.41 2jqa s ALA 47 N -4.00 -0.03 -0.01 0.00 0.00 -0.07 -0.36 121.76 117.29 2jqa s ALA 47 Ca 0.20 -0.46 -0.29 0.00 0.00 0.00 0.00 51.96 51.41 2jqa s ALA 47 Cb 0.05 0.15 0.10 0.00 0.00 0.00 0.00 23.12 23.42 2jqa s ALA 47 CO 0.01 -0.20 0.95 1.52 0.00 0.00 0.00 175.76 178.04 2jqa s TYR 48 N -1.62 -0.29 -0.86 0.00 -0.85 -0.81 -2.80 117.35 110.13 2jqa s TYR 48 Ca -0.14 0.15 0.00 0.00 -0.52 0.00 0.00 57.07 56.56 2jqa s TYR 48 Cb -0.08 0.55 0.00 0.00 0.38 0.00 0.00 41.96 42.81 2jqa s TYR 48 CO -0.01 -0.52 0.00 -1.33 -1.52 0.00 0.00 175.55 172.17 2jqa n MET 49 N -0.25 -0.56 -3.52 -3.49 2.81 0.44 -3.03 117.12 109.51 2jqa n MET 49 Ca -0.07 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.69 2jqa n MET 49 Cb 0.61 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 33.08 2jqa n MET 49 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2jqa s THR 50 N -3.00 0.00 0.50 2.03 2.01 -1.26 -3.63 115.64 112.28 2jqa s THR 50 Ca 0.00 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.07 2jqa s THR 50 Cb 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 2jqa s THR 50 CO 0.00 0.00 0.44 -0.22 -0.69 0.00 0.00 174.62 174.15 2jqa s LEU 51 N -1.63 3.03 -0.27 4.42 0.20 -1.26 -2.37 118.68 120.80 2jqa s LEU 51 Ca -0.03 -1.00 -0.00 0.00 0.69 0.00 0.00 54.13 53.79 2jqa s LEU 51 Cb -0.00 -1.59 0.15 0.00 -0.43 0.00 0.00 46.19 44.32 2jqa s LEU 51 CO 0.00 -0.95 0.41 0.28 -0.29 0.00 0.00 176.35 175.80 2jqa s THR 52 N -2.64 -0.64 0.49 3.68 -1.32 0.17 -4.85 115.64 110.53 2jqa s THR 52 Ca 0.44 -0.17 -0.20 0.00 -1.21 0.00 0.00 61.69 60.54 2jqa s THR 52 Cb -0.03 -0.91 -0.08 0.00 -1.51 0.00 0.00 72.50 69.97 2jqa s THR 52 CO 0.26 -0.19 1.03 0.21 -2.21 0.00 0.00 174.62 173.72 2jqa s ASN 53 N 2.56 6.33 -0.45 8.08 3.84 -1.26 -3.40 114.94 130.64 2jqa s ASN 53 Ca 0.12 1.90 0.07 0.00 0.21 0.00 0.00 52.86 55.15 2jqa s ASN 53 Cb -0.14 -2.56 0.32 0.00 -0.55 0.00 0.00 41.25 38.32 2jqa s ASN 53 CO -0.23 -0.79 1.05 1.17 -2.79 0.00 0.00 177.10 175.52 2jqa n LYS 54 N -1.05 1.00 0.00 0.43 4.81 -1.26 -5.04 118.16 117.05 2jqa n LYS 54 Ca 0.09 -2.12 0.00 0.00 -0.87 0.00 0.00 58.31 55.41 2jqa n LYS 54 Cb 0.53 -1.14 0.00 0.00 0.02 0.00 0.00 35.03 34.43 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 0.43 0.00 0.00 3.14 7.64 -1.26 -4.80 113.62 118.77 2jqa n SER 55 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2jqa n SER 55 Cb 0.69 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 2jqa n SER 55 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2jqa n ASP 56 N -0.51 0.00 -2.85 6.43 2.03 -1.26 -5.12 116.55 115.27 2jqa n ASP 56 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 2jqa n ASP 56 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2jqa n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jqa s GLN 57 N 0.00 1.04 -1.22 -0.67 -2.07 -1.26 -5.08 119.66 110.40 2jqa s GLN 57 Ca 0.00 -1.02 -0.10 0.00 -1.82 0.00 0.00 55.36 52.42 2jqa s GLN 57 Cb 0.00 -0.11 0.19 0.00 -1.09 0.00 0.00 33.01 32.01 2jqa s GLN 57 CO 0.00 -1.31 1.64 -0.35 -1.32 0.00 0.00 175.29 173.95 2jqa n PRO 58 N 3.12 3.66 -3.66 9.60 -0.04 -1.26 -4.76 135.00 141.66 2jqa n PRO 58 Ca 0.18 -3.82 -0.15 0.00 -0.04 0.00 0.00 63.50 59.67 2jqa n PRO 58 Cb 0.56 -2.88 -0.08 0.00 -0.04 0.00 0.00 33.50 31.06 2jqa n PRO 58 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2jqa s ILE 59 N 0.20 0.01 -1.23 0.52 2.07 -1.26 -3.95 121.20 117.55 2jqa s ILE 59 Ca 0.39 -0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.52 2jqa s ILE 59 Cb 0.04 -0.80 0.00 0.00 0.13 0.00 0.00 42.46 41.83 2jqa s ILE 59 CO 0.01 -0.06 0.00 0.29 -1.91 0.00 0.00 174.94 173.27 2jqa n LYS 60 N 1.90 0.00 -3.04 3.50 4.76 -1.26 -4.72 118.16 119.30 2jqa n LYS 60 Ca -0.17 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 54.88 2jqa n LYS 60 Cb 0.56 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.70 2jqa n LYS 60 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jqa s LEU 61 N 0.00 4.54 0.00 -0.35 1.43 -1.24 -2.92 118.68 120.14 2jqa s LEU 61 Ca 0.00 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 2jqa s LEU 61 Cb 0.00 -3.19 0.00 0.00 0.03 0.00 0.00 46.19 43.03 2jqa s LEU 61 CO 0.00 0.17 1.01 1.33 0.23 0.00 0.00 176.35 179.09 2jqa n VAL 62 N 1.96 1.01 0.00 -1.59 0.24 1.00 -2.98 118.33 117.96 2jqa n VAL 62 Ca -0.06 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 2jqa n VAL 62 Cb 0.49 -1.02 0.00 0.00 -1.47 0.00 0.00 33.84 31.85 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 0.74 -1.53 3.44 7.63 0.00 -1.26 -4.40 105.19 109.81 2jqa n GLY 63 Ca 0.00 -2.15 -0.27 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.73 2.56 0.07 4.61 0.00 -1.26 -3.44 121.76 122.56 2jqa s ALA 64 Ca 0.00 -1.57 -0.08 0.00 0.00 0.00 0.00 51.96 50.32 2jqa s ALA 64 Cb 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 2jqa s ALA 64 CO 0.00 0.47 0.16 0.00 0.00 0.00 0.00 175.76 176.39 2jqa s ALA 65 N -1.51 -0.17 -0.26 0.00 0.00 -0.22 -4.89 121.76 114.72 2jqa s ALA 65 Ca 0.20 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.54 2jqa s ALA 65 Cb -0.09 0.40 0.13 0.00 0.00 0.00 0.00 23.12 23.56 2jqa s ALA 65 CO 0.10 -0.45 0.32 -0.08 0.00 0.00 0.00 175.76 175.65 2jqa s THR 66 N -3.48 -0.48 -1.74 0.00 -1.32 -1.26 -0.78 115.64 106.57 2jqa s THR 66 Ca 0.02 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 2jqa s THR 66 Cb 0.03 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 2jqa s THR 66 CO -0.09 -0.28 0.48 -0.81 -2.21 0.00 0.00 174.62 171.72 2jqa n PRO 67 N 5.34 0.55 0.21 7.08 -0.04 -1.26 -2.82 135.00 144.06 2jqa n PRO 67 Ca -0.03 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.53 2jqa n PRO 67 Cb 0.49 -1.07 0.31 0.00 -0.04 0.00 0.00 33.50 33.18 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 0.12 0.00 -9.87 1.53 3.38 -1.94 -3.45 115.31 105.08 2jqa h LEU 68 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 2jqa h LEU 68 Cb 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2jqa h LEU 68 CO 0.00 0.20 -0.41 0.00 0.09 0.00 0.00 178.44 178.32 2jqa s ALA 69 N -3.36 3.90 0.17 1.53 0.00 -1.13 -3.71 121.76 119.16 2jqa s ALA 69 Ca 0.03 -0.68 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 2jqa s ALA 69 Cb 0.08 -1.99 0.06 0.00 0.00 0.00 0.00 23.12 21.28 2jqa s ALA 69 CO 0.66 0.72 1.50 1.15 0.00 0.00 0.00 175.76 179.79 2jqa h THR 70 N 2.45 1.30 -3.33 0.00 2.02 -0.07 -3.37 112.91 111.91 2jqa h THR 70 Ca -0.47 -1.69 -0.62 0.00 0.77 0.00 0.00 66.41 64.39 2jqa h THR 70 Cb 1.18 1.62 -0.40 0.00 -1.74 0.00 0.00 68.15 68.80 2jqa h THR 70 CO 0.71 0.54 -0.72 -0.44 0.37 0.00 0.00 175.52 175.98 2jqa s SER 71 N -6.90 4.24 -0.09 4.18 0.01 -0.10 -5.03 113.70 110.01 2jqa s SER 71 Ca -0.09 -2.23 -0.29 0.00 1.31 0.00 0.00 55.95 54.65 2jqa s SER 71 Cb 0.11 -1.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.02 2jqa s SER 71 CO 0.86 -0.34 1.64 -2.16 0.41 0.00 0.00 173.24 173.64 2jqa s PRO 72 N 0.82 4.10 -0.19 12.44 0.04 -1.26 -1.23 135.00 149.72 2jqa s PRO 72 Ca 0.13 2.08 -0.08 0.00 0.04 0.00 0.00 61.00 63.17 2jqa s PRO 72 Cb -0.21 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.30 2jqa s PRO 72 CO -0.10 -0.94 0.08 -1.64 0.04 0.00 0.00 177.00 174.44 2jqa s MET 73 N 4.16 3.99 -0.14 4.56 -1.94 0.03 -4.97 119.30 124.98 2jqa s MET 73 Ca 0.73 -0.33 -0.04 0.00 -1.71 0.00 0.00 55.69 54.33 2jqa s MET 73 Cb -0.31 -3.28 0.05 0.00 2.01 0.00 0.00 34.83 33.30 2jqa s MET 73 CO 0.29 0.22 0.08 -0.51 -0.01 0.00 0.00 175.02 175.10 2jqa s LEU 74 N 0.52 0.29 -0.05 -0.03 1.02 -1.26 -0.58 118.68 118.58 2jqa s LEU 74 Ca 0.04 -0.44 -0.08 0.00 0.02 0.00 0.00 54.13 53.67 2jqa s LEU 74 Cb -0.12 -0.21 0.02 0.00 0.02 0.00 0.00 46.19 45.89 2jqa s LEU 74 CO 0.01 -0.33 0.20 -0.32 0.02 0.00 0.00 176.35 175.93 2jqa s MET 75 N 2.15 0.33 0.09 1.70 1.75 -0.45 -0.58 119.30 124.29 2jqa s MET 75 Ca 0.03 0.09 -0.13 0.00 -1.25 0.00 0.00 55.69 54.42 2jqa s MET 75 Cb -0.15 0.15 0.02 0.00 2.84 0.00 0.00 34.83 37.69 2jqa s MET 75 CO -0.08 -0.06 0.32 -0.08 -0.65 0.00 0.00 175.02 174.47 2jqa s THR 76 N -0.35 0.09 -0.29 10.11 -1.32 -0.64 -0.52 115.64 122.72 2jqa s THR 76 Ca -0.05 -0.77 -0.03 0.00 -1.21 0.00 0.00 61.69 59.63 2jqa s THR 76 Cb -0.03 -1.16 0.17 0.00 -1.51 0.00 0.00 72.50 69.97 2jqa s THR 76 CO 0.01 -0.43 0.57 -0.89 -2.21 0.00 0.00 174.62 171.67 2jqa s THR 77 N -3.49 -0.94 -0.05 5.08 2.01 0.07 -1.36 115.64 116.96 2jqa s THR 77 Ca 0.01 -0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.86 2jqa s THR 77 Cb 0.02 -0.97 0.03 0.00 0.01 0.00 0.00 72.50 71.59 2jqa s THR 77 CO -0.09 -0.01 0.35 0.28 -0.69 0.00 0.00 174.62 174.46 2jqa s THR 78 N 2.82 0.04 -0.13 -0.82 -1.32 0.35 -4.69 115.64 111.90 2jqa s THR 78 Ca 0.15 -0.31 0.05 0.00 -1.21 0.00 0.00 61.69 60.37 2jqa s THR 78 Cb -0.15 -0.62 0.15 0.00 -1.51 0.00 0.00 72.50 70.38 2jqa s THR 78 CO -0.20 -0.17 1.14 1.41 -2.21 0.00 0.00 174.62 174.59 2jqa n HIS 79 N 1.71 -0.78 0.00 9.09 8.25 -1.26 -1.06 115.22 131.16 2jqa n HIS 79 Ca -0.19 -0.91 0.00 0.00 -0.26 0.00 0.00 57.72 56.36 2jqa n HIS 79 Cb 0.56 0.89 0.00 0.00 1.12 0.00 0.00 29.99 32.56 2jqa n HIS 79 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2jqa n SER 80 N -0.58 0.00 -0.14 0.41 7.64 -1.26 -5.00 113.62 114.68 2jqa n SER 80 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.66 2jqa n SER 80 Cb 0.74 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 64.01 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 0.83 -0.14 0.00 0.23 0.00 -1.26 -4.68 105.19 100.17 2jqa n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.07 4.23 3.09 -0.02 0.00 -1.26 -3.14 105.19 108.15 2jqa n GLY 82 Ca 0.00 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 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 1.95 0.29 1.61 -2.45 -1.26 -5.10 119.30 114.34 2jqa s MET 83 Ca 0.00 -1.96 -0.15 0.00 -1.25 0.00 0.00 55.69 52.33 2jqa s MET 83 Cb 0.00 -3.50 -0.09 0.00 1.25 0.00 0.00 34.83 32.49 2jqa s MET 83 CO 0.00 -1.06 0.72 0.00 1.05 0.00 0.00 175.02 175.73 2jqa s ALA 84 N 0.88 3.36 0.00 4.11 0.00 -1.26 -4.65 121.76 124.20 2jqa s ALA 84 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2jqa s ALA 84 Cb -0.22 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.16 2jqa s ALA 84 CO -0.05 0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.47 2jqa n GLY 85 N -0.14 3.43 3.16 0.00 0.00 -0.23 -4.96 105.19 106.45 2jqa n GLY 85 Ca 0.02 -1.07 -0.07 0.00 0.00 0.00 0.00 46.02 44.90 2jqa n GLY 85 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2jqa s MET 86 N -2.26 0.36 0.00 1.61 0.00 -1.26 -0.49 119.30 117.26 2jqa s MET 86 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 55.69 56.58 2jqa s MET 86 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 34.83 34.94 2jqa s MET 86 CO 0.00 -0.41 0.00 1.17 0.00 0.00 0.00 175.02 175.78 2jqa n LYS 87 N 5.39 0.00 -3.26 3.16 4.81 -0.46 -4.99 118.16 122.80 2jqa n LYS 87 Ca -0.06 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.10 2jqa n LYS 87 Cb 0.50 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.52 2jqa n LYS 87 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 2jqa s MET 88 N 0.63 3.60 0.00 1.64 -1.94 -1.26 -1.61 119.30 120.36 2jqa s MET 88 Ca 0.00 -0.02 0.00 0.00 -1.71 0.00 0.00 55.69 53.96 2jqa s MET 88 Cb 0.00 -2.62 0.00 0.00 2.01 0.00 0.00 34.83 34.22 2jqa s MET 88 CO 0.00 0.15 0.00 0.28 -0.01 0.00 0.00 175.02 175.44 2jqa n VAL 89 N -1.22 -2.34 1.22 -6.03 0.31 0.25 -4.86 118.33 105.67 2jqa n VAL 89 Ca -0.02 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.43 2jqa n VAL 89 Cb 0.54 -2.73 0.63 0.00 -0.91 0.00 0.00 33.84 31.37 2jqa n VAL 89 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2jqa n PRO 90 N 0.22 0.45 0.00 5.55 -0.04 -1.26 -4.63 135.00 135.29 2jqa n PRO 90 Ca 0.00 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2jqa n PRO 90 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 -1.21 -0.23 0.00 0.54 2.14 -1.26 -4.88 117.44 112.55 2jqa n TRP 91 Ca 0.13 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.70 2jqa n TRP 91 Cb 0.16 0.05 0.00 0.00 -0.81 0.00 0.00 31.31 30.71 2jqa n TRP 91 CO 0.00 0.00 0.00 1.47 2.07 0.00 0.00 177.69 181.23 2jqa n LEU 92 N 0.00 0.00 0.00 5.67 -0.00 -1.16 -3.98 117.00 117.53 2jqa n LEU 92 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 2jqa n LEU 92 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 2jqa n LEU 92 CO 0.00 0.00 0.02 1.07 -0.00 0.00 0.00 177.39 178.48 2jqa n THR 93 N 0.00 0.00 -4.09 1.47 5.66 -1.21 -3.70 114.28 112.41 2jqa n THR 93 Ca 0.00 -1.27 -0.35 0.00 -3.05 0.00 0.00 64.05 59.38 2jqa n THR 93 Cb 0.00 0.69 -0.03 0.00 -1.55 0.00 0.00 70.33 69.44 2jqa n THR 93 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jqa n ILE 94 N -0.36 -2.54 -1.48 1.09 3.06 -1.25 -4.49 119.36 113.38 2jqa n ILE 94 Ca 0.03 -0.59 -0.40 0.00 -2.50 0.00 0.00 62.75 59.29 2jqa n ILE 94 Cb 0.36 -2.14 -0.02 0.00 0.54 0.00 0.00 39.64 38.38 2jqa n ILE 94 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 2jqa n PRO 95 N -4.64 3.19 -2.44 9.51 -0.04 -1.26 -4.80 135.00 134.52 2jqa n PRO 95 Ca -0.23 -2.35 -0.38 0.00 -0.04 0.00 0.00 63.50 60.50 2jqa n PRO 95 Cb 0.64 -3.02 -0.03 0.00 -0.04 0.00 0.00 33.50 31.05 2jqa n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jqa s ALA 96 N 2.77 2.54 0.00 0.55 0.00 -1.26 -4.36 121.76 122.00 2jqa s ALA 96 Ca 0.58 -2.19 0.00 0.00 0.00 0.00 0.00 51.96 50.35 2jqa s ALA 96 Cb 0.16 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.72 2jqa s ALA 96 CO -0.07 -3.89 0.00 -2.13 0.00 0.00 0.00 175.76 169.67 2jqa n ARG 97 N 8.79 0.00 0.07 0.00 0.63 -1.26 -4.73 116.66 120.15 2jqa n ARG 97 Ca 0.37 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 57.18 2jqa n ARG 97 Cb 0.49 -2.48 -0.08 0.00 0.45 0.00 0.00 32.46 30.84 2jqa n ARG 97 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2jqa h GLY 98 N 0.00 -0.23 -1.25 5.14 0.00 -1.74 -3.50 103.07 101.48 2jqa h GLY 98 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2jqa h GLY 98 CO 0.00 -0.08 0.00 2.41 0.00 0.00 0.00 176.54 178.87 2jqa n THR 99 N -4.97 -1.90 -1.53 4.70 -1.04 -1.26 -4.94 114.28 103.34 2jqa n THR 99 Ca -0.08 0.00 -0.55 0.00 -2.04 0.00 0.00 64.05 61.37 2jqa n THR 99 Cb 0.26 -2.20 -0.08 0.00 -1.82 0.00 0.00 70.33 66.49 2jqa n THR 99 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jqa n LEU 100 N 0.00 2.00 -4.90 -4.42 -0.00 -1.26 -4.95 117.00 103.48 2jqa n LEU 100 Ca 0.00 0.74 -0.28 0.00 -0.00 0.00 0.00 56.01 56.47 2jqa n LEU 100 Cb 0.00 -1.15 -0.01 0.00 -0.00 0.00 0.00 43.42 42.26 2jqa n LEU 100 CO 0.00 -0.61 0.41 -0.89 -0.00 0.00 0.00 177.39 176.30 2jqa s THR 101 N 5.48 4.90 -0.46 1.47 2.01 -1.26 -4.14 115.64 123.63 2jqa s THR 101 Ca 1.07 0.26 0.06 0.00 0.31 0.00 0.00 61.69 63.39 2jqa s THR 101 Cb -1.06 -3.82 0.32 0.00 0.01 0.00 0.00 72.50 67.94 2jqa s THR 101 CO 0.59 -0.71 1.09 -0.11 -0.69 0.00 0.00 174.62 174.79 2jqa n LEU 102 N -1.89 -2.27 -4.21 4.42 7.94 -1.24 -4.84 117.00 114.91 2jqa n LEU 102 Ca 0.01 -3.73 -0.14 0.00 -1.11 0.00 0.00 56.01 51.03 2jqa n LEU 102 Cb 0.55 0.92 -0.10 0.00 0.53 0.00 0.00 43.42 45.32 2jqa n LEU 102 CO 0.51 2.08 -0.41 -1.10 -1.11 0.00 0.00 177.39 177.36 2jqa s GLN 103 N 0.20 0.95 0.42 1.96 -1.52 0.17 -0.42 119.66 121.42 2jqa s GLN 103 Ca 0.23 -1.32 0.20 0.00 -1.95 0.00 0.00 55.36 52.52 2jqa s GLN 103 Cb 0.29 -0.55 1.10 0.00 -0.22 0.00 0.00 33.01 33.63 2jqa s GLN 103 CO -0.06 0.07 1.57 0.07 -0.25 0.00 0.00 175.29 176.68 2jqa h ARG 104 N 3.11 0.00 -0.03 2.91 -0.00 -1.93 0.95 114.38 119.40 2jqa h ARG 104 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.61 2jqa h ARG 104 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.16 2jqa h ARG 104 CO 0.59 0.00 0.00 -0.40 -0.00 0.00 0.00 179.97 180.16 2jqa n ASP 105 N -2.33 0.57 0.00 0.08 5.75 -1.26 -4.68 116.55 114.68 2jqa n ASP 105 Ca -0.01 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 2jqa n ASP 105 Cb 0.26 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 2jqa n ASP 105 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jqa n GLY 106 N 1.00 0.00 2.91 6.12 0.00 -0.75 -5.05 105.19 109.41 2jqa n GLY 106 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.10 0.30 0.25 1.61 -1.08 0.26 -0.75 116.67 117.15 2jqa s ASP 107 Ca 0.00 0.13 -0.20 0.00 -0.52 0.00 0.00 52.55 51.96 2jqa s ASP 107 Cb 0.00 1.10 0.03 0.00 -1.46 0.00 0.00 42.92 42.58 2jqa s ASP 107 CO 0.00 -0.31 0.64 -1.38 0.52 0.00 0.00 175.17 174.65 2jqa s HIS 108 N 2.54 -0.16 -0.02 -5.34 -3.43 0.32 0.44 115.29 109.64 2jqa s HIS 108 Ca 0.12 -0.24 0.02 0.00 -0.80 0.00 0.00 55.06 54.17 2jqa s HIS 108 Cb -0.15 0.58 -0.03 0.00 -1.43 0.00 0.00 32.58 31.54 2jqa s HIS 108 CO -0.18 -1.11 -0.05 0.08 -2.00 0.00 0.00 174.74 171.48 2jqa s VAL 109 N -3.90 3.79 -0.07 -5.38 1.01 -1.12 -1.34 120.40 113.39 2jqa s VAL 109 Ca 0.11 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.51 2jqa s VAL 109 Cb -0.04 -2.62 -0.00 0.00 0.00 0.00 0.00 36.38 33.72 2jqa s VAL 109 CO 0.03 0.47 -0.20 -0.32 0.00 0.00 0.00 175.10 175.07 2jqa s MET 110 N -1.22 2.35 -0.84 2.72 1.75 0.25 -0.89 119.30 123.42 2jqa s MET 110 Ca 0.16 -0.73 -0.09 0.00 -1.25 0.00 0.00 55.69 53.78 2jqa s MET 110 Cb -0.11 -1.91 0.22 0.00 2.84 0.00 0.00 34.83 35.87 2jqa s MET 110 CO 0.06 0.22 0.75 -0.51 -0.65 0.00 0.00 175.02 174.89 2jqa s LEU 111 N 0.19 6.14 -0.06 4.11 1.02 0.21 -0.79 118.68 129.49 2jqa s LEU 111 Ca -0.10 -3.05 -0.26 0.00 0.02 0.00 0.00 54.13 50.74 2jqa s LEU 111 Cb -0.15 -2.08 -0.03 0.00 0.02 0.00 0.00 46.19 43.95 2jqa s LEU 111 CO 0.05 -0.41 0.81 -0.32 0.02 0.00 0.00 176.35 176.49 2jqa s MET 112 N -0.38 4.45 -0.81 1.70 1.75 -0.37 -2.52 119.30 123.13 2jqa s MET 112 Ca 0.21 1.07 -0.05 0.00 -1.25 0.00 0.00 55.69 55.67 2jqa s MET 112 Cb -0.12 -3.47 -0.05 0.00 2.84 0.00 0.00 34.83 34.02 2jqa s MET 112 CO -0.08 -0.04 0.71 0.41 -0.65 0.00 0.00 175.02 175.37 2jqa n GLY 113 N 3.10 -0.69 3.60 2.11 0.00 -0.98 -0.92 105.19 111.40 2jqa n GLY 113 Ca 0.02 0.39 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.84 0.93 -0.17 0.99 2.96 0.15 -0.54 118.68 118.16 2jqa s LEU 114 Ca 0.35 0.96 0.10 0.00 -0.22 0.00 0.00 54.13 55.32 2jqa s LEU 114 Cb -0.05 -2.87 -0.18 0.00 0.50 0.00 0.00 46.19 43.60 2jqa s LEU 114 CO 0.57 -3.82 -0.01 0.29 -1.32 0.00 0.00 176.35 172.05 2jqa n LYS 115 N -4.60 1.14 -3.52 1.98 5.02 -1.24 -4.81 118.16 112.13 2jqa n LYS 115 Ca 0.08 0.03 -0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2jqa n LYS 115 Cb 0.58 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 34.14 2jqa n LYS 115 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jqa s ARG 116 N -2.39 0.40 0.74 1.97 0.52 -1.26 -5.07 118.95 113.86 2jqa s ARG 116 Ca -0.14 0.91 -0.11 0.00 -0.52 0.00 0.00 55.73 55.88 2jqa s ARG 116 Cb 0.05 0.44 0.03 0.00 0.52 0.00 0.00 34.95 36.00 2jqa s ARG 116 CO 0.60 -0.12 1.07 -1.25 0.02 0.00 0.00 175.30 175.62 2jqa s PRO 117 N 2.27 2.58 0.33 3.54 0.04 -1.26 -5.08 135.00 137.41 2jqa s PRO 117 Ca -0.05 0.93 0.09 0.00 0.04 0.00 0.00 61.00 62.00 2jqa s PRO 117 Cb -0.07 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 2jqa s PRO 117 CO -0.17 -1.35 -0.08 -0.51 0.04 0.00 0.00 177.00 174.92 2jqa s LEU 118 N -5.69 2.66 0.22 -3.56 1.02 -1.26 -5.01 118.68 107.06 2jqa s LEU 118 Ca 0.59 -1.20 0.07 0.00 0.02 0.00 0.00 54.13 53.61 2jqa s LEU 118 Cb -0.15 -0.89 -0.04 0.00 0.02 0.00 0.00 46.19 45.13 2jqa s LEU 118 CO 0.55 -0.25 0.12 -0.75 0.02 0.00 0.00 176.35 176.04 2jqa s LYS 119 N -3.64 2.73 0.02 1.70 2.20 -1.26 -2.17 119.74 119.31 2jqa s LYS 119 Ca 0.32 -1.07 0.01 0.00 -0.36 0.00 0.00 55.97 54.87 2jqa s LYS 119 Cb 0.03 -2.49 0.05 0.00 -1.51 0.00 0.00 37.83 33.91 2jqa s LYS 119 CO 0.15 0.43 0.94 0.28 -0.36 0.00 0.00 175.35 176.79 2jqa n VAL 120 N -0.73 1.60 -2.51 4.02 0.31 -1.26 -2.25 118.33 117.50 2jqa n VAL 120 Ca -0.08 0.51 0.02 0.00 -0.01 0.00 0.00 64.34 64.78 2jqa n VAL 120 Cb 0.57 -1.51 0.02 0.00 -0.91 0.00 0.00 33.84 32.00 2jqa n VAL 120 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jqa n GLY 121 N -1.40 1.10 3.86 2.92 0.00 -1.17 -4.02 105.19 106.47 2jqa n GLY 121 Ca -0.00 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.62 3.12 -0.02 1.61 2.12 -0.96 -4.90 118.70 119.05 2jqa s GLU 122 Ca 0.29 -0.79 -0.19 0.00 0.36 0.00 0.00 54.97 54.65 2jqa s GLU 122 Cb 0.34 -2.76 -0.05 0.00 0.26 0.00 0.00 34.13 31.92 2jqa s GLU 122 CO -0.13 0.49 0.52 0.99 -0.54 0.00 0.00 175.26 176.59 2jqa s THR 123 N -1.80 4.99 0.01 -1.70 2.01 -1.26 -0.34 115.64 117.55 2jqa s THR 123 Ca 0.33 1.09 0.02 0.00 0.31 0.00 0.00 61.69 63.43 2jqa s THR 123 Cb -0.10 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 2jqa s THR 123 CO 0.26 0.44 -0.06 0.54 -0.69 0.00 0.00 174.62 175.11 2jqa s VAL 124 N -0.26 0.47 0.07 3.82 0.11 0.45 -4.92 120.40 120.13 2jqa s VAL 124 Ca 0.28 -0.49 -0.26 0.00 -2.93 0.00 0.00 61.98 58.58 2jqa s VAL 124 Cb -0.17 -0.44 -0.06 0.00 -1.53 0.00 0.00 36.38 34.18 2jqa s VAL 124 CO 0.15 -0.03 0.81 0.20 -3.33 0.00 0.00 175.10 172.90 2jqa s ASN 125 N -0.57 7.28 0.04 3.54 0.01 -1.26 -0.91 114.94 123.07 2jqa s ASN 125 Ca -0.02 1.53 -0.13 0.00 -0.71 0.00 0.00 52.86 53.54 2jqa s ASN 125 Cb -0.05 -2.50 0.02 0.00 0.41 0.00 0.00 41.25 39.13 2jqa s ASN 125 CO -0.00 0.01 0.27 -0.63 -1.51 0.00 0.00 177.10 175.24 2jqa s ILE 126 N -0.10 0.09 -0.12 0.60 -1.09 -0.68 -4.85 121.20 115.05 2jqa s ILE 126 Ca 0.40 -0.73 0.03 0.00 -2.23 0.00 0.00 60.65 58.12 2jqa s ILE 126 Cb -0.21 -0.92 0.01 0.00 -1.58 0.00 0.00 42.46 39.75 2jqa s ILE 126 CO 0.25 -0.40 -0.22 -0.89 -1.23 0.00 0.00 174.94 172.44 2jqa s THR 127 N -2.52 2.01 -0.01 2.92 2.01 0.04 -0.43 115.64 119.65 2jqa s THR 127 Ca -0.05 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 60.99 2jqa s THR 127 Cb -0.01 -1.77 0.01 0.00 0.01 0.00 0.00 72.50 70.74 2jqa s THR 127 CO -0.03 0.54 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.66 2jqa s LEU 128 N 0.67 1.67 -0.11 4.42 1.43 0.47 -1.06 118.68 126.17 2jqa s LEU 128 Ca -0.11 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2jqa s LEU 128 Cb -0.16 -0.20 0.01 0.00 0.03 0.00 0.00 46.19 45.88 2jqa s LEU 128 CO 0.02 -0.02 -0.16 -0.75 0.23 0.00 0.00 176.35 175.67 2jqa s LYS 129 N 0.37 2.35 0.59 1.70 2.20 -1.22 -0.62 119.74 125.11 2jqa s LYS 129 Ca -0.04 -0.61 -0.20 0.00 -0.36 0.00 0.00 55.97 54.77 2jqa s LYS 129 Cb -0.06 -1.98 -0.03 0.00 -1.51 0.00 0.00 37.83 34.24 2jqa s LYS 129 CO -0.01 -0.05 1.31 0.00 -0.36 0.00 0.00 175.35 176.24 2jqa s ALA 130 N 0.96 2.61 -1.65 3.13 0.00 -0.92 -0.00 121.76 125.88 2jqa s ALA 130 Ca -0.07 1.24 0.04 0.00 0.00 0.00 0.00 51.96 53.17 2jqa s ALA 130 Cb -0.15 -3.55 0.19 0.00 0.00 0.00 0.00 23.12 19.62 2jqa s ALA 130 CO -0.02 -1.43 0.84 -2.37 0.00 0.00 0.00 175.76 172.79 2jqa n THR 131 N -1.45 0.62 -2.17 0.00 5.66 -1.15 -2.43 114.28 113.36 2jqa n THR 131 Ca 0.13 0.16 -0.04 0.00 -3.05 0.00 0.00 64.05 61.24 2jqa n THR 131 Cb 0.47 -1.10 0.00 0.00 -1.55 0.00 0.00 70.33 68.15 2jqa n THR 131 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2jqa n ASP 132 N -1.18 -0.96 -3.60 1.09 -0.08 -1.26 -5.02 116.55 105.54 2jqa n ASP 132 Ca 0.02 -1.77 -0.10 0.00 -1.51 0.00 0.00 54.79 51.43 2jqa n ASP 132 Cb 0.02 0.36 -0.06 0.00 2.34 0.00 0.00 41.12 43.78 2jqa n ASP 132 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2jqa s GLY 133 N -0.86 -0.22 -1.28 0.27 0.00 -1.02 -5.10 107.32 99.11 2jqa s GLY 133 Ca 0.03 2.29 -0.11 0.00 0.00 0.00 0.00 44.72 46.93 2jqa s GLY 133 CO -0.04 1.38 1.80 0.54 0.00 0.00 0.00 173.10 176.78 2jqa n ARG 134 N 1.38 3.48 0.00 2.90 5.12 -1.26 -2.17 116.66 126.11 2jqa n ARG 134 Ca -0.11 -3.52 -0.19 0.00 -1.93 0.00 0.00 57.85 52.10 2jqa n ARG 134 Cb 0.57 -3.01 -0.14 0.00 -1.16 0.00 0.00 32.46 28.72 2jqa n ARG 134 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 2jqa h THR 135 N 4.05 1.48 0.00 0.55 2.02 -1.90 -3.49 112.91 115.62 2jqa h THR 135 Ca 0.39 -2.45 0.00 0.00 0.77 0.00 0.00 66.41 65.12 2jqa h THR 135 Cb 0.70 3.13 0.00 0.00 -1.74 0.00 0.00 68.15 70.24 2jqa h THR 135 CO 1.55 0.67 0.00 0.00 0.37 0.00 0.00 175.52 178.11 2jqa n LEU 136 N -4.24 0.00 -4.60 2.58 -0.00 0.21 -4.61 117.00 106.33 2jqa n LEU 136 Ca -0.16 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.43 2jqa n LEU 136 Cb 0.74 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.13 2jqa n LEU 136 CO 0.42 0.00 1.62 0.21 -0.00 0.00 0.00 177.39 179.64 2jqa s ASN 137 N -2.11 5.80 -0.01 1.45 2.47 -1.26 -0.39 114.94 120.88 2jqa s ASN 137 Ca 0.00 1.53 0.05 0.00 0.42 0.00 0.00 52.86 54.86 2jqa s ASN 137 Cb 0.00 -2.52 -0.01 0.00 -1.45 0.00 0.00 41.25 37.27 2jqa s ASN 137 CO 0.00 -1.75 -0.15 -0.69 -3.72 0.00 0.00 177.10 170.79 2jqa s VAL 138 N 7.18 1.22 -0.21 -5.21 1.01 0.43 -4.97 120.40 119.84 2jqa s VAL 138 Ca 0.86 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 2jqa s VAL 138 Cb -0.26 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.10 2jqa s VAL 138 CO 0.34 0.32 1.09 0.00 0.00 0.00 0.00 175.10 176.86 2jqa s ALA 139 N -0.40 3.68 0.52 5.51 0.00 -1.26 -1.68 121.76 128.13 2jqa s ALA 139 Ca 0.06 0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.32 2jqa s ALA 139 Cb -0.06 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.51 2jqa s ALA 139 CO -0.00 -1.08 0.34 0.00 0.00 0.00 0.00 175.76 175.02 2jqa s ALA 140 N 3.26 4.31 0.20 0.00 0.00 -0.09 -4.96 121.76 124.48 2jqa s ALA 140 Ca 0.47 -1.27 0.09 0.00 0.00 0.00 0.00 51.96 51.24 2jqa s ALA 140 Cb -0.17 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 2jqa s ALA 140 CO 0.08 -0.37 -0.04 0.99 0.00 0.00 0.00 175.76 176.42 2jqa s THR 141 N -2.75 3.42 -0.15 0.00 2.01 -1.12 -0.41 115.64 116.64 2jqa s THR 141 Ca 0.32 -1.66 -0.05 0.00 0.31 0.00 0.00 61.69 60.62 2jqa s THR 141 Cb -0.01 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 2jqa s THR 141 CO 0.20 -0.18 0.01 -0.69 -0.69 0.00 0.00 174.62 173.27 2jqa s VAL 142 N -1.88 4.36 -0.29 3.82 1.01 0.54 -2.38 120.40 125.58 2jqa s VAL 142 Ca 0.27 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 2jqa s VAL 142 Cb -0.08 -2.92 0.15 0.00 0.00 0.00 0.00 36.38 33.53 2jqa s VAL 142 CO 0.17 0.51 0.61 -0.75 0.00 0.00 0.00 175.10 175.64 2jqa s LYS 143 N 0.05 0.55 0.08 2.72 2.20 -0.22 -3.06 119.74 122.07 2jqa s LYS 143 Ca 0.03 1.25 -0.34 0.00 -0.36 0.00 0.00 55.97 56.54 2jqa s LYS 143 Cb -0.13 0.69 -0.13 0.00 -1.51 0.00 0.00 37.83 36.75 2jqa s LYS 143 CO 0.02 -0.36 1.66 0.36 -0.36 0.00 0.00 175.35 176.67 2jqa n LYS 144 N 5.44 2.12 -2.77 4.03 -0.00 -1.26 -4.45 118.16 121.26 2jqa n LYS 144 Ca -0.08 0.77 -0.02 0.00 -0.00 0.00 0.00 58.31 58.98 2jqa n LYS 144 Cb 0.50 -2.56 0.02 0.00 -0.00 0.00 0.00 35.03 32.99 2jqa n LYS 144 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2jqa s ASN 145 N 1.89 -0.67 0.00 -5.58 3.84 -1.26 -4.94 114.94 108.23 2jqa s ASN 145 Ca 0.83 -0.64 0.00 0.00 0.21 0.00 0.00 52.86 53.26 2jqa s ASN 145 Cb -0.69 0.87 0.00 0.00 -0.55 0.00 0.00 41.25 40.88 2jqa s ASN 145 CO 0.43 -0.04 0.00 0.00 -2.79 0.00 0.00 177.10 174.69 2jqa n ILE 146 N 3.12 0.00 0.00 -5.21 3.06 -1.26 -5.05 119.36 114.01 2jqa n ILE 146 Ca 0.11 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.36 2jqa n ILE 146 Cb 0.62 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.80 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 0.00 0.00 9.51 -0.58 -1.26 -5.13 120.64 123.18 2jqa n GLU 147 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2jqa n GLU 147 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2jqa n GLU 147 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jqa n GLY 148 N 0.00 0.00 0.00 0.62 0.00 -1.26 -4.93 105.19 99.62 2jqa n GLY 148 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jqa n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86