#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 0.71 3.38 3.03 0.00 -1.26 -5.14 105.19 105.92 2jqa n GLY 2 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2jqa n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jqa s HIS 3 N 1.50 0.34 0.00 1.61 0.00 -1.26 -5.20 115.29 112.28 2jqa s HIS 3 Ca 0.00 -0.70 0.00 0.00 -3.00 0.00 0.00 55.06 51.36 2jqa s HIS 3 Cb 0.00 0.01 0.00 0.00 -4.00 0.00 0.00 32.58 28.59 2jqa s HIS 3 CO 0.00 -0.77 0.00 0.25 -1.00 0.00 0.00 174.74 173.22 2jqa n THR 4 N -0.25 0.00 -3.58 -5.38 -2.24 -1.26 -5.19 114.28 96.38 2jqa n THR 4 Ca -0.07 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.56 2jqa n THR 4 Cb 0.63 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.79 2jqa n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jqa s MET 5 N -1.78 0.92 0.87 -0.78 0.00 -1.26 -5.19 119.30 112.07 2jqa s MET 5 Ca 0.00 0.60 -0.12 0.00 0.00 0.00 0.00 55.69 56.17 2jqa s MET 5 Cb 0.00 0.44 0.15 0.00 0.00 0.00 0.00 34.83 35.42 2jqa s MET 5 CO 0.00 -0.21 1.22 -1.25 0.00 0.00 0.00 175.02 174.78 2jqa s PRO 6 N -0.41 1.24 -0.03 3.16 0.04 -1.26 -5.13 135.00 132.61 2jqa s PRO 6 Ca -0.05 -0.36 -0.16 0.00 0.04 0.00 0.00 61.00 60.47 2jqa s PRO 6 Cb -0.02 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.58 2jqa s PRO 6 CO 0.05 -1.98 0.35 0.00 0.04 0.00 0.00 177.00 175.46 2jqa s ALA 7 N -3.66 -0.88 0.04 8.56 0.00 -1.26 -5.18 121.76 119.39 2jqa s ALA 7 Ca 0.69 0.48 -0.28 0.00 0.00 0.00 0.00 51.96 52.85 2jqa s ALA 7 Cb -0.06 0.00 0.10 0.00 0.00 0.00 0.00 23.12 23.16 2jqa s ALA 7 CO 0.50 -0.26 1.20 -1.01 0.00 0.00 0.00 175.76 176.19 2jqa s HIS 8 N -1.17 -0.04 -0.21 0.00 3.76 -1.26 -5.19 115.29 111.18 2jqa s HIS 8 Ca -0.12 -0.14 -0.25 0.00 -0.15 0.00 0.00 55.06 54.40 2jqa s HIS 8 Cb -0.05 0.58 0.07 0.00 1.11 0.00 0.00 32.58 34.29 2jqa s HIS 8 CO 0.04 -0.45 0.68 -0.08 -0.85 0.00 0.00 174.74 174.08 2jqa s THR 9 N -2.53 0.00 0.10 1.30 -1.32 -1.26 -5.16 115.64 106.77 2jqa s THR 9 Ca 0.16 -0.01 -0.30 0.00 -1.21 0.00 0.00 61.69 60.33 2jqa s THR 9 Cb 0.02 -0.96 -0.06 0.00 -1.51 0.00 0.00 72.50 70.00 2jqa s THR 9 CO -0.01 -0.00 1.10 -2.16 -2.21 0.00 0.00 174.62 171.33 2jqa s PRO 10 N 0.04 4.54 0.26 7.08 0.04 -1.26 -5.04 135.00 140.66 2jqa s PRO 10 Ca -0.02 1.66 -0.18 0.00 0.04 0.00 0.00 61.00 62.50 2jqa s PRO 10 Cb -0.04 -3.34 -0.08 0.00 0.04 0.00 0.00 34.50 31.07 2jqa s PRO 10 CO 0.03 -0.05 0.73 -1.25 0.04 0.00 0.00 177.00 176.49 2jqa s PRO 11 N 0.42 4.16 -0.15 0.56 0.04 -1.26 -5.09 135.00 133.68 2jqa s PRO 11 Ca 0.53 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 62.06 2jqa s PRO 11 Cb -0.27 -2.71 0.13 0.00 0.04 0.00 0.00 34.50 31.68 2jqa s PRO 11 CO 0.31 0.31 1.00 0.00 0.04 0.00 0.00 177.00 178.66 2jqa s ALA 12 N -1.69 -1.93 0.03 8.56 0.00 -1.26 -5.19 121.76 120.27 2jqa s ALA 12 Ca 0.47 1.55 -0.29 0.00 0.00 0.00 0.00 51.96 53.69 2jqa s ALA 12 Cb -0.14 -0.63 0.10 0.00 0.00 0.00 0.00 23.12 22.45 2jqa s ALA 12 CO 0.20 -0.34 1.08 -1.14 0.00 0.00 0.00 175.76 175.55 2jqa s GLN 13 N -1.29 0.77 0.01 0.00 0.74 -1.26 -5.19 119.66 113.44 2jqa s GLN 13 Ca -0.01 -0.39 -0.28 0.00 0.05 0.00 0.00 55.36 54.74 2jqa s GLN 13 Cb -0.01 0.29 0.07 0.00 1.10 0.00 0.00 33.01 34.46 2jqa s GLN 13 CO 0.00 -0.35 0.63 -0.08 -0.55 0.00 0.00 175.29 174.95 2jqa s THR 14 N -2.89 0.01 -0.30 -0.34 -1.32 -1.26 -5.16 115.64 104.39 2jqa s THR 14 Ca 0.11 -0.04 -0.05 0.00 -1.21 0.00 0.00 61.69 60.50 2jqa s THR 14 Cb 0.01 -0.99 0.19 0.00 -1.51 0.00 0.00 72.50 70.20 2jqa s THR 14 CO -0.03 -0.02 0.80 0.00 -2.21 0.00 0.00 174.62 173.16 2jqa s ALA 15 N -1.91 -2.92 0.52 11.08 0.00 -1.26 -5.18 121.76 122.10 2jqa s ALA 15 Ca -0.08 1.48 -0.13 0.00 0.00 0.00 0.00 51.96 53.23 2jqa s ALA 15 Cb -0.00 -2.45 -0.06 0.00 0.00 0.00 0.00 23.12 20.60 2jqa s ALA 15 CO 0.03 -1.60 0.95 -1.25 0.00 0.00 0.00 175.76 173.89 2jqa s PRO 16 N 2.90 3.80 -0.19 0.00 0.04 -1.26 -5.05 135.00 135.23 2jqa s PRO 16 Ca 0.13 0.77 -0.25 0.00 0.04 0.00 0.00 61.00 61.69 2jqa s PRO 16 Cb -0.10 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 2jqa s PRO 16 CO -0.20 -0.31 0.84 0.00 0.04 0.00 0.00 177.00 177.38 2jqa s ALA 17 N -2.74 3.56 -0.23 8.56 0.00 -1.26 -5.02 121.76 124.63 2jqa s ALA 17 Ca 0.56 0.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.24 2jqa s ALA 17 Cb -0.10 -3.26 0.15 0.00 0.00 0.00 0.00 23.12 19.91 2jqa s ALA 17 CO 0.38 -0.74 1.16 0.00 0.00 0.00 0.00 175.76 176.57 2jqa s ALA 18 N 2.37 -2.03 0.00 0.00 0.00 -1.26 -5.17 121.76 115.67 2jqa s ALA 18 Ca 0.38 1.73 0.00 0.00 0.00 0.00 0.00 51.96 54.07 2jqa s ALA 18 Cb -0.16 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.77 2jqa s ALA 18 CO 0.11 -0.25 0.00 0.94 0.00 0.00 0.00 175.76 176.56 2jqa n GLN 19 N 1.00 0.00 -4.08 0.00 7.27 -1.26 -5.03 117.38 115.27 2jqa n GLN 19 Ca -0.08 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.64 2jqa n GLN 19 Cb 0.58 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 33.14 2jqa n GLN 19 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2jqa s LYS 20 N -3.82 3.56 0.08 3.69 3.01 -1.26 -5.08 119.74 119.93 2jqa s LYS 20 Ca 0.00 -0.31 -0.31 0.00 -1.01 0.00 0.00 55.97 54.34 2jqa s LYS 20 Cb 0.00 -3.08 -0.09 0.00 -1.01 0.00 0.00 37.83 33.64 2jqa s LYS 20 CO 0.00 0.52 1.76 0.00 0.51 0.00 0.00 175.35 178.14 2jqa s ALA 21 N -0.34 3.71 -0.07 5.17 0.00 -1.26 -4.97 121.76 124.00 2jqa s ALA 21 Ca 0.09 1.31 -0.27 0.00 0.00 0.00 0.00 51.96 53.09 2jqa s ALA 21 Cb -0.12 -3.74 -0.03 0.00 0.00 0.00 0.00 23.12 19.23 2jqa s ALA 21 CO 0.02 -1.21 0.88 0.20 0.00 0.00 0.00 175.76 175.64 2jqa s GLY 22 N 2.78 2.57 -1.36 0.00 0.00 -1.26 -4.96 107.32 105.09 2jqa s GLY 22 Ca 0.78 0.30 -0.10 0.00 0.00 0.00 0.00 44.72 45.70 2jqa s GLY 22 CO 0.35 1.59 2.59 0.00 0.00 0.00 0.00 173.10 177.62 2jqa n ALA 23 N 4.33 6.31 0.00 3.20 0.00 -1.26 -4.68 120.51 128.41 2jqa n ALA 23 Ca 0.04 -3.10 0.00 0.00 0.00 0.00 0.00 53.44 50.38 2jqa n ALA 23 Cb 0.50 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 16.66 2jqa n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jqa n GLN 24 N 4.20 0.00 -2.59 0.00 6.02 -1.26 -4.90 117.38 118.85 2jqa n GLN 24 Ca 0.65 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 57.38 2jqa n GLN 24 Cb 0.23 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.51 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 0.00 3.47 -0.02 -1.58 0.00 -1.26 -5.11 121.76 117.26 2jqa s ALA 25 Ca 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 2jqa s ALA 25 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 2jqa s ALA 25 CO 0.00 -0.68 0.19 -0.51 0.00 0.00 0.00 175.76 174.76 2jqa s LEU 26 N -4.85 4.37 0.71 0.00 1.43 -1.26 -4.78 118.68 114.31 2jqa s LEU 26 Ca 0.52 0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 53.91 2jqa s LEU 26 Cb -0.10 -2.54 0.02 0.00 0.03 0.00 0.00 46.19 43.59 2jqa s LEU 26 CO 0.42 0.28 1.07 -2.16 0.23 0.00 0.00 176.35 176.20 2jqa s PRO 27 N -1.78 2.78 -0.20 1.29 0.04 -1.26 -4.73 135.00 131.14 2jqa s PRO 27 Ca 0.25 1.03 -0.24 0.00 0.04 0.00 0.00 61.00 62.09 2jqa s PRO 27 Cb -0.13 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 2jqa s PRO 27 CO 0.16 -1.22 0.78 0.54 0.04 0.00 0.00 177.00 177.29 2jqa s VAL 28 N -2.96 4.90 -0.09 -0.36 0.11 -1.26 -4.66 120.40 116.09 2jqa s VAL 28 Ca 0.59 1.49 -0.19 0.00 -2.93 0.00 0.00 61.98 60.94 2jqa s VAL 28 Cb -0.15 -4.08 -0.04 0.00 -1.53 0.00 0.00 36.38 30.58 2jqa s VAL 28 CO 0.54 0.01 0.53 -0.89 -3.33 0.00 0.00 175.10 171.96 2jqa s THR 29 N 2.32 5.12 -0.17 5.04 2.01 -1.26 -5.07 115.64 123.63 2jqa s THR 29 Ca 0.35 1.08 -0.08 0.00 0.31 0.00 0.00 61.69 63.34 2jqa s THR 29 Cb -0.16 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 2jqa s THR 29 CO 0.10 0.34 0.12 0.54 -0.69 0.00 0.00 174.62 175.03 2jqa s VAL 30 N 0.45 5.30 0.41 3.82 0.11 -1.26 -3.96 120.40 125.26 2jqa s VAL 30 Ca 0.29 0.14 0.17 0.00 -2.93 0.00 0.00 61.98 59.65 2jqa s VAL 30 Cb -0.16 -3.37 0.17 0.00 -1.53 0.00 0.00 36.38 31.49 2jqa s VAL 30 CO 0.13 0.50 1.95 0.06 -3.33 0.00 0.00 175.10 174.41 2jqa h GLN 31 N 6.10 0.00 0.00 1.54 -0.00 -1.98 -3.48 115.11 117.30 2jqa h GLN 31 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 2jqa h GLN 31 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.66 2jqa h GLN 31 CO 0.69 0.24 0.00 0.41 -0.00 0.00 0.00 178.83 180.17 2jqa n GLY 32 N -0.73 1.25 0.00 0.06 0.00 -1.26 -4.51 105.19 100.00 2jqa n GLY 32 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.00 -3.80 4.61 0.00 -1.26 -4.76 120.51 115.30 2jqa n ALA 33 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2jqa n ALA 33 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 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 0.95 0.13 0.00 2.01 -0.67 -2.62 115.64 115.43 2jqa s THR 34 Ca 0.00 -0.27 -0.25 0.00 0.31 0.00 0.00 61.69 61.48 2jqa s THR 34 Cb 0.00 -0.96 -0.07 0.00 0.01 0.00 0.00 72.50 71.48 2jqa s THR 34 CO 0.00 0.35 0.77 -0.69 -0.69 0.00 0.00 174.62 174.36 2jqa s VAL 35 N 1.50 4.48 0.55 3.82 1.01 -0.57 -0.77 120.40 130.41 2jqa s VAL 35 Ca 0.00 1.68 0.28 0.00 0.00 0.00 0.00 61.98 63.95 2jqa s VAL 35 Cb -0.13 -4.13 0.33 0.00 0.00 0.00 0.00 36.38 32.45 2jqa s VAL 35 CO -0.05 0.48 2.21 0.00 0.00 0.00 0.00 175.10 177.73 2jqa h ALA 36 N 4.73 1.50 0.00 5.51 0.00 -1.53 -0.08 119.26 129.39 2jqa h ALA 36 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jqa h ALA 36 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jqa h ALA 36 CO 0.67 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.96 2jqa n ALA 37 N -2.33 -0.48 -2.60 0.00 0.00 -1.26 -3.87 120.51 109.97 2jqa n ALA 37 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 2jqa n ALA 37 Cb 0.12 -0.30 -0.10 0.00 0.00 0.00 0.00 19.45 19.17 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 -2.72 0.15 0.90 0.00 -7.23 -0.15 -4.83 120.40 106.52 2jqa s VAL 38 Ca 0.00 -1.25 -0.10 0.00 -1.81 0.00 0.00 61.98 58.81 2jqa s VAL 38 Cb 0.00 -0.94 0.14 0.00 0.56 0.00 0.00 36.38 36.14 2jqa s VAL 38 CO 0.00 -0.69 1.15 -2.84 -0.31 0.00 0.00 175.10 172.41 2jqa s PRO 39 N -2.75 1.11 0.42 4.82 0.02 -1.26 -4.29 135.00 133.08 2jqa s PRO 39 Ca -0.04 1.54 -0.26 0.00 0.02 0.00 0.00 61.00 62.27 2jqa s PRO 39 Cb -0.00 -1.74 -0.09 0.00 0.02 0.00 0.00 34.50 32.69 2jqa s PRO 39 CO -0.05 -2.56 1.37 -1.25 -0.33 0.00 0.00 177.00 174.17 2jqa s PRO 40 N -4.64 3.84 0.00 5.54 0.04 -1.26 -3.44 135.00 135.08 2jqa s PRO 40 Ca 0.67 2.30 0.00 0.00 0.04 0.00 0.00 61.00 64.01 2jqa s PRO 40 Cb -0.23 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.59 2jqa s PRO 40 CO 0.57 -0.65 0.00 0.45 0.04 0.00 0.00 177.00 177.42 2jqa n SER 41 N -0.00 -1.56 -4.39 6.66 2.88 -1.26 -5.10 113.62 110.85 2jqa n SER 41 Ca 0.04 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.26 2jqa n SER 41 Cb 0.42 -0.26 -0.15 0.00 -0.75 0.00 0.00 64.21 63.48 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 -2.00 2.66 -0.14 2.46 -1.09 -1.22 -5.05 121.20 116.82 2jqa s ILE 42 Ca 0.00 -0.86 0.18 0.00 -2.23 0.00 0.00 60.65 57.75 2jqa s ILE 42 Cb 0.00 -2.02 0.34 0.00 -1.58 0.00 0.00 42.46 39.20 2jqa s ILE 42 CO 0.00 0.58 1.21 -2.11 -1.23 0.00 0.00 174.94 173.39 2jqa n ARG 43 N 2.64 1.64 -3.65 2.79 -4.01 -1.26 -4.21 116.66 110.60 2jqa n ARG 43 Ca -0.17 -2.64 -0.19 0.00 -1.04 0.00 0.00 57.85 53.80 2jqa n ARG 43 Cb 0.52 -1.58 -0.17 0.00 -3.04 0.00 0.00 32.46 28.20 2jqa n ARG 43 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 2jqa s ASP 44 N -2.67 1.16 0.07 2.89 1.11 -1.26 -0.55 116.67 117.42 2jqa s ASP 44 Ca 0.34 0.07 -0.01 0.00 0.18 0.00 0.00 52.55 53.13 2jqa s ASP 44 Cb 0.29 0.04 -0.04 0.00 1.07 0.00 0.00 42.92 44.28 2jqa s ASP 44 CO 0.04 -0.27 0.00 0.42 1.18 0.00 0.00 175.17 176.55 2jqa s THR 45 N 2.22 0.19 0.01 -1.27 -4.23 -1.04 -4.99 115.64 106.53 2jqa s THR 45 Ca 0.04 -1.81 -0.02 0.00 -1.18 0.00 0.00 61.69 58.72 2jqa s THR 45 Cb -0.13 -1.66 -0.01 0.00 1.34 0.00 0.00 72.50 72.04 2jqa s THR 45 CO -0.05 -0.84 0.01 0.00 -0.54 0.00 0.00 174.62 173.20 2jqa s ALA 46 N -3.95 0.01 0.07 3.99 0.00 -1.26 -0.43 121.76 120.18 2jqa s ALA 46 Ca 0.12 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.70 2jqa s ALA 46 Cb 0.08 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 2jqa s ALA 46 CO -0.07 -0.16 -0.17 0.00 0.00 0.00 0.00 175.76 175.36 2jqa s ALA 47 N -1.38 2.68 -0.01 0.00 0.00 -1.07 -1.55 121.76 120.43 2jqa s ALA 47 Ca -0.15 -1.24 0.04 0.00 0.00 0.00 0.00 51.96 50.61 2jqa s ALA 47 Cb -0.09 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 2jqa s ALA 47 CO -0.00 0.59 -0.15 0.71 0.00 0.00 0.00 175.76 176.91 2jqa s TYR 48 N -1.03 1.32 0.21 0.00 1.51 0.05 -4.39 117.35 115.02 2jqa s TYR 48 Ca 0.16 -0.25 -0.21 0.00 -1.01 0.00 0.00 57.07 55.76 2jqa s TYR 48 Cb -0.11 -0.85 0.04 0.00 -0.11 0.00 0.00 41.96 40.94 2jqa s TYR 48 CO 0.08 -0.03 0.63 -1.64 -1.11 0.00 0.00 175.55 173.49 2jqa s MET 49 N -0.33 1.49 -0.10 -0.62 -1.94 0.46 -1.68 119.30 116.58 2jqa s MET 49 Ca 0.05 -0.73 -0.30 0.00 -1.71 0.00 0.00 55.69 53.00 2jqa s MET 49 Cb -0.06 0.59 0.09 0.00 2.01 0.00 0.00 34.83 37.46 2jqa s MET 49 CO -0.00 -0.66 0.79 -0.08 -0.01 0.00 0.00 175.02 175.05 2jqa s THR 50 N -3.84 0.00 -0.24 2.05 -1.32 -1.26 -1.63 115.64 109.40 2jqa s THR 50 Ca 0.06 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.53 2jqa s THR 50 Cb -0.03 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.03 2jqa s THR 50 CO -0.04 0.00 0.03 -0.22 -2.21 0.00 0.00 174.62 172.18 2jqa s LEU 51 N -1.06 1.93 0.76 9.08 2.96 -0.32 -3.66 118.68 128.37 2jqa s LEU 51 Ca -0.07 -1.16 -0.11 0.00 -0.22 0.00 0.00 54.13 52.57 2jqa s LEU 51 Cb -0.00 -0.86 0.05 0.00 0.50 0.00 0.00 46.19 45.88 2jqa s LEU 51 CO 0.07 -0.31 1.08 0.28 -1.32 0.00 0.00 176.35 176.15 2jqa s THR 52 N 1.64 3.45 -0.12 3.68 -1.32 -1.25 -4.10 115.64 117.61 2jqa s THR 52 Ca 0.01 0.47 -0.08 0.00 -1.21 0.00 0.00 61.69 60.87 2jqa s THR 52 Cb -0.18 -3.01 0.04 0.00 -1.51 0.00 0.00 72.50 67.84 2jqa s THR 52 CO -0.12 -0.62 0.30 0.54 -2.21 0.00 0.00 174.62 172.52 2jqa s ASN 53 N -3.48 -0.33 -0.05 8.08 2.20 -1.26 -4.69 114.94 115.40 2jqa s ASN 53 Ca 0.61 0.63 0.09 0.00 -0.94 0.00 0.00 52.86 53.25 2jqa s ASN 53 Cb -0.16 0.57 0.16 0.00 -2.00 0.00 0.00 41.25 39.82 2jqa s ASN 53 CO 0.56 -0.14 1.08 0.29 -2.94 0.00 0.00 177.10 175.94 2jqa n LYS 54 N 3.61 0.48 0.00 3.55 5.02 -1.26 -4.95 118.16 124.60 2jqa n LYS 54 Ca -0.19 -1.72 0.00 0.00 -2.02 0.00 0.00 58.31 54.38 2jqa n LYS 54 Cb 0.56 -0.81 0.00 0.00 -0.02 0.00 0.00 35.03 34.76 2jqa n LYS 54 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2jqa n SER 55 N -0.44 0.00 -0.22 4.39 7.64 -1.26 -4.54 113.62 119.19 2jqa n SER 55 Ca 0.07 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.94 2jqa n SER 55 Cb 0.73 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.93 2jqa n SER 55 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2jqa n ASP 56 N -0.62 -0.03 -4.52 6.43 5.68 -1.26 -4.88 116.55 117.35 2jqa n ASP 56 Ca 0.00 -0.09 -0.43 0.00 -0.50 0.00 0.00 54.79 53.77 2jqa n ASP 56 Cb 0.00 0.01 -0.06 0.00 -1.14 0.00 0.00 41.12 39.93 2jqa n ASP 56 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2jqa s GLN 57 N 0.00 3.31 0.16 0.11 -0.21 -1.26 -4.90 119.66 116.88 2jqa s GLN 57 Ca 0.00 -0.32 -0.29 0.00 0.02 0.00 0.00 55.36 54.77 2jqa s GLN 57 Cb 0.00 -3.98 -0.07 0.00 1.00 0.00 0.00 33.01 29.96 2jqa s GLN 57 CO 0.00 -1.14 0.91 -1.25 -2.12 0.00 0.00 175.29 171.70 2jqa s PRO 58 N 3.12 4.73 -0.13 2.91 0.04 -1.26 -4.75 135.00 139.66 2jqa s PRO 58 Ca 0.26 1.40 -0.02 0.00 0.04 0.00 0.00 61.00 62.67 2jqa s PRO 58 Cb -0.14 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 2jqa s PRO 58 CO 0.20 0.38 -0.06 0.42 0.04 0.00 0.00 177.00 177.98 2jqa s ILE 59 N -0.60 3.76 -0.15 0.56 1.01 -1.25 -4.96 121.20 119.57 2jqa s ILE 59 Ca 0.43 -0.42 -0.07 0.00 0.00 0.00 0.00 60.65 60.58 2jqa s ILE 59 Cb -0.24 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 2jqa s ILE 59 CO 0.30 0.53 0.11 -1.59 0.00 0.00 0.00 174.94 174.29 2jqa s LYS 60 N 0.02 3.67 -0.26 2.79 -2.85 -1.26 -1.07 119.74 120.78 2jqa s LYS 60 Ca -0.00 -0.21 -0.27 0.00 -1.00 0.00 0.00 55.97 54.48 2jqa s LYS 60 Cb -0.14 -3.21 0.16 0.00 -2.06 0.00 0.00 37.83 32.58 2jqa s LYS 60 CO 0.03 0.57 1.21 -1.17 0.10 0.00 0.00 175.35 176.09 2jqa s LEU 61 N -0.44 -0.24 0.00 2.77 0.20 -1.22 -4.71 118.68 115.05 2jqa s LEU 61 Ca 0.11 0.38 0.00 0.00 0.69 0.00 0.00 54.13 55.31 2jqa s LEU 61 Cb -0.12 1.50 0.00 0.00 -0.43 0.00 0.00 46.19 47.14 2jqa s LEU 61 CO 0.02 -0.13 0.55 0.52 -0.29 0.00 0.00 176.35 177.01 2jqa n VAL 62 N 1.35 0.00 -3.33 1.68 0.31 -0.14 -2.29 118.33 115.92 2jqa n VAL 62 Ca -0.09 1.05 0.00 0.00 -0.01 0.00 0.00 64.34 65.29 2jqa n VAL 62 Cb 0.57 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 2jqa n VAL 62 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jqa n GLY 63 N 0.35 -0.58 3.68 2.92 0.00 -1.26 -0.73 105.19 109.58 2jqa n GLY 63 Ca 0.00 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 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 3.46 0.20 4.61 0.00 -1.26 -4.23 121.76 123.54 2jqa s ALA 64 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2jqa s ALA 64 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 2jqa s ALA 64 CO 0.00 -0.66 0.09 0.00 0.00 0.00 0.00 175.76 175.19 2jqa s ALA 65 N 2.16 1.30 -0.29 0.00 0.00 0.41 -4.99 121.76 120.34 2jqa s ALA 65 Ca 0.45 -1.69 -0.19 0.00 0.00 0.00 0.00 51.96 50.53 2jqa s ALA 65 Cb -0.17 1.06 0.16 0.00 0.00 0.00 0.00 23.12 24.17 2jqa s ALA 65 CO 0.15 -0.49 1.13 -0.08 0.00 0.00 0.00 175.76 176.47 2jqa s THR 66 N -3.94 0.00 -2.04 0.00 -1.32 -1.26 -1.41 115.64 105.66 2jqa s THR 66 Ca 0.34 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.92 2jqa s THR 66 Cb 0.07 -1.00 0.27 0.00 -1.51 0.00 0.00 72.50 70.33 2jqa s THR 66 CO 0.09 0.00 1.30 -0.81 -2.21 0.00 0.00 174.62 173.00 2jqa n PRO 67 N 2.89 1.35 0.12 7.08 -0.04 -1.26 -4.16 135.00 140.97 2jqa n PRO 67 Ca -0.16 -0.53 0.11 0.00 -0.04 0.00 0.00 63.50 62.89 2jqa n PRO 67 Cb 0.57 -1.20 0.48 0.00 -0.04 0.00 0.00 33.50 33.31 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 -0.14 0.59 -4.59 1.53 4.32 -1.26 -4.63 117.00 112.82 2jqa n LEU 68 Ca 0.09 0.66 -0.30 0.00 -0.02 0.00 0.00 56.01 56.43 2jqa n LEU 68 Cb 0.15 -0.58 -0.10 0.00 -1.62 0.00 0.00 43.42 41.27 2jqa n LEU 68 CO 0.06 -0.56 -0.41 0.00 -1.22 0.00 0.00 177.39 175.27 2jqa s ALA 69 N -3.30 3.00 0.46 -1.18 0.00 -1.26 -3.91 121.76 115.56 2jqa s ALA 69 Ca 0.04 -1.19 0.38 0.00 0.00 0.00 0.00 51.96 51.19 2jqa s ALA 69 Cb 0.09 -0.97 1.94 0.00 0.00 0.00 0.00 23.12 24.18 2jqa s ALA 69 CO 0.36 0.64 2.21 1.15 0.00 0.00 0.00 175.76 180.12 2jqa h THR 70 N 3.31 0.13 -2.40 0.00 2.02 -0.97 -3.36 112.91 111.65 2jqa h THR 70 Ca -0.49 -0.24 -0.45 0.00 0.77 0.00 0.00 66.41 66.01 2jqa h THR 70 Cb 1.17 1.20 -0.36 0.00 -1.74 0.00 0.00 68.15 68.42 2jqa h THR 70 CO 0.53 0.02 -0.73 -0.44 0.37 0.00 0.00 175.52 175.27 2jqa s SER 71 N -5.54 2.42 -0.50 4.18 0.01 -0.11 -5.02 113.70 109.15 2jqa s SER 71 Ca -0.03 -1.34 -0.28 0.00 1.31 0.00 0.00 55.95 55.61 2jqa s SER 71 Cb 0.12 0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.41 2jqa s SER 71 CO 0.49 -0.37 1.72 -2.16 0.41 0.00 0.00 173.24 173.33 2jqa s PRO 72 N 1.87 3.05 -0.14 12.44 0.04 -1.26 -1.14 135.00 149.87 2jqa s PRO 72 Ca 0.12 0.86 -0.05 0.00 0.04 0.00 0.00 61.00 61.97 2jqa s PRO 72 Cb -0.17 -4.25 -0.04 0.00 0.04 0.00 0.00 34.50 30.09 2jqa s PRO 72 CO -0.23 -2.21 0.06 1.41 0.04 0.00 0.00 177.00 176.07 2jqa s MET 73 N 6.15 3.53 -0.26 4.56 1.75 -0.00 -4.98 119.30 130.05 2jqa s MET 73 Ca 0.68 -0.32 -0.02 0.00 -1.25 0.00 0.00 55.69 54.77 2jqa s MET 73 Cb -0.15 -3.06 0.08 0.00 2.84 0.00 0.00 34.83 34.54 2jqa s MET 73 CO 0.26 0.52 0.08 -0.48 -0.65 0.00 0.00 175.02 174.76 2jqa s LEU 74 N -0.34 1.38 -0.24 4.11 2.34 -1.26 -0.26 118.68 124.41 2jqa s LEU 74 Ca 0.09 -1.21 -0.03 0.00 0.06 0.00 0.00 54.13 53.04 2jqa s LEU 74 Cb -0.12 -0.62 0.10 0.00 -0.56 0.00 0.00 46.19 44.99 2jqa s LEU 74 CO 0.02 -0.38 0.19 -0.04 -1.06 0.00 0.00 176.35 175.08 2jqa s MET 75 N 1.84 0.20 -0.10 1.48 -1.94 -0.36 -3.93 119.30 116.49 2jqa s MET 75 Ca 0.05 -0.10 -0.00 0.00 -1.71 0.00 0.00 55.69 53.93 2jqa s MET 75 Cb -0.17 -1.18 0.02 0.00 2.01 0.00 0.00 34.83 35.51 2jqa s MET 75 CO -0.21 -0.83 -0.07 0.95 -0.01 0.00 0.00 175.02 174.86 2jqa s THR 76 N 2.25 0.90 0.00 2.05 -4.23 -1.26 -2.67 115.64 112.68 2jqa s THR 76 Ca 0.07 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 2jqa s THR 76 Cb -0.15 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.76 2jqa s THR 76 CO -0.22 0.34 0.00 0.41 -0.54 0.00 0.00 174.62 174.61 2jqa n THR 77 N 4.77 0.00 -3.60 3.99 -1.04 -0.06 -1.72 114.28 116.62 2jqa n THR 77 Ca -0.14 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.71 2jqa n THR 77 Cb 0.50 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.94 2jqa n THR 77 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2jqa s THR 78 N 1.28 0.01 -0.37 12.58 -4.23 -0.90 -4.49 115.64 119.52 2jqa s THR 78 Ca 0.00 -0.10 0.10 0.00 -1.18 0.00 0.00 61.69 60.50 2jqa s THR 78 Cb 0.00 -0.89 0.38 0.00 1.34 0.00 0.00 72.50 73.33 2jqa s THR 78 CO 0.00 -0.06 1.39 1.57 -0.54 0.00 0.00 174.62 176.99 2jqa n HIS 79 N 1.29 -2.25 -4.77 3.99 -0.00 -1.26 -4.74 115.22 107.48 2jqa n HIS 79 Ca -0.19 -1.79 -0.31 0.00 -0.00 0.00 0.00 57.72 55.44 2jqa n HIS 79 Cb 0.57 1.57 -0.13 0.00 -0.00 0.00 0.00 29.99 31.99 2jqa n HIS 79 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2jqa s SER 80 N -1.12 3.59 0.60 0.26 0.01 -1.25 -4.93 113.70 110.86 2jqa s SER 80 Ca 0.17 -0.47 0.28 0.00 1.31 0.00 0.00 55.95 57.24 2jqa s SER 80 Cb 0.40 -0.51 1.21 0.00 0.21 0.00 0.00 66.02 67.33 2jqa s SER 80 CO -0.10 0.26 1.61 1.23 0.41 0.00 0.00 173.24 176.65 2jqa h GLY 81 N 4.69 0.00 -1.27 3.44 0.00 -2.00 -0.57 103.07 107.36 2jqa h GLY 81 Ca -0.47 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 2jqa h GLY 81 CO 0.46 0.00 -0.52 0.61 0.00 0.00 0.00 176.54 177.10 2jqa n GLY 82 N -1.60 2.67 3.22 4.60 0.00 -1.26 -5.08 105.19 107.74 2jqa n GLY 82 Ca 0.15 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.38 0.36 -0.01 1.61 0.00 -0.22 -5.17 119.30 114.50 2jqa s MET 83 Ca 0.24 0.62 0.03 0.00 0.00 0.00 0.00 55.69 56.59 2jqa s MET 83 Cb 0.25 0.04 -0.01 0.00 0.00 0.00 0.00 34.83 35.11 2jqa s MET 83 CO -0.05 -0.12 -0.09 0.00 0.00 0.00 0.00 175.02 174.76 2jqa s ALA 84 N 0.91 0.75 0.00 4.11 0.00 -1.26 -3.79 121.76 122.47 2jqa s ALA 84 Ca -0.06 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.51 2jqa s ALA 84 Cb -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.87 2jqa s ALA 84 CO -0.07 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.28 2jqa n GLY 85 N 2.85 1.33 3.46 0.00 0.00 -1.26 -5.02 105.19 106.55 2jqa n GLY 85 Ca -0.13 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 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 1.42 0.95 0.00 1.61 -2.45 -1.26 -4.21 119.30 115.36 2jqa s MET 86 Ca 0.00 0.21 0.00 0.00 -1.25 0.00 0.00 55.69 54.65 2jqa s MET 86 Cb 0.00 0.45 0.00 0.00 1.25 0.00 0.00 34.83 36.53 2jqa s MET 86 CO 0.00 -0.28 0.00 1.63 1.05 0.00 0.00 175.02 177.42 2jqa n LYS 87 N 1.12 0.00 -2.81 4.11 4.01 -0.70 -4.76 118.16 119.12 2jqa n LYS 87 Ca -0.19 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.50 2jqa n LYS 87 Cb 0.57 0.00 0.05 0.00 -0.51 0.00 0.00 35.03 35.14 2jqa n LYS 87 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 2jqa n MET 88 N 0.00 1.09 -1.36 1.97 1.56 -0.77 -4.72 117.12 114.89 2jqa n MET 88 Ca 0.00 -2.66 0.00 0.00 -0.27 0.00 0.00 57.70 54.77 2jqa n MET 88 Cb 0.00 -1.01 0.00 0.00 2.15 0.00 0.00 33.22 34.36 2jqa n MET 88 CO 0.00 0.00 0.00 1.33 -0.73 0.00 0.00 175.97 176.57 2jqa n VAL 89 N -0.03 -3.92 -1.59 1.12 0.24 -1.25 -4.91 118.33 107.98 2jqa n VAL 89 Ca 0.09 1.78 -0.32 0.00 -2.04 0.00 0.00 64.34 63.86 2jqa n VAL 89 Cb 0.77 -2.58 0.05 0.00 -1.47 0.00 0.00 33.84 30.61 2jqa n VAL 89 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2jqa s PRO 90 N -4.47 2.80 -0.07 7.34 0.04 -1.26 -4.76 135.00 134.61 2jqa s PRO 90 Ca 0.00 1.11 0.04 0.00 0.04 0.00 0.00 61.00 62.19 2jqa s PRO 90 Cb 0.00 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2jqa s PRO 90 CO 0.00 -1.22 -0.19 1.67 0.04 0.00 0.00 177.00 177.30 2jqa s TRP 91 N -2.81 2.03 -0.26 0.56 -2.14 -1.25 -4.71 118.94 110.36 2jqa s TRP 91 Ca 0.61 -0.74 0.10 0.00 2.66 0.00 0.00 56.10 58.73 2jqa s TRP 91 Cb -0.16 -1.39 0.46 0.00 -3.10 0.00 0.00 33.47 29.29 2jqa s TRP 91 CO 0.50 -0.30 1.34 -0.11 -2.66 0.00 0.00 176.95 175.73 2jqa n LEU 92 N 3.46 3.50 -4.69 -4.66 7.94 0.09 -4.90 117.00 117.76 2jqa n LEU 92 Ca -0.20 -3.89 -0.36 0.00 -1.11 0.00 0.00 56.01 50.45 2jqa n LEU 92 Cb 0.52 -0.58 -0.09 0.00 0.53 0.00 0.00 43.42 43.81 2jqa n LEU 92 CO 0.26 1.37 -0.15 0.28 -1.11 0.00 0.00 177.39 178.04 2jqa s THR 93 N -3.30 5.36 -0.18 1.96 -1.32 -1.01 -3.44 115.64 113.70 2jqa s THR 93 Ca 0.42 0.24 -0.04 0.00 -1.21 0.00 0.00 61.69 61.10 2jqa s THR 93 Cb 0.39 -3.51 -0.02 0.00 -1.51 0.00 0.00 72.50 67.85 2jqa s THR 93 CO -0.04 0.37 -0.03 -0.51 -2.21 0.00 0.00 174.62 172.20 2jqa s ILE 94 N 0.83 3.79 -1.60 5.08 -1.16 -0.23 -4.86 121.20 123.05 2jqa s ILE 94 Ca 0.09 -0.38 -0.10 0.00 -0.51 0.00 0.00 60.65 59.75 2jqa s ILE 94 Cb -0.13 -2.69 -0.08 0.00 0.61 0.00 0.00 42.46 40.17 2jqa s ILE 94 CO 0.03 0.46 2.91 -0.81 -2.81 0.00 0.00 174.94 174.72 2jqa n PRO 95 N 3.96 3.63 0.00 3.50 -0.04 -1.26 -3.94 135.00 140.85 2jqa n PRO 95 Ca -0.17 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.09 2jqa n PRO 95 Cb 0.52 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 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 3.71 0.00 -1.03 0.55 0.00 -1.26 -3.41 120.51 119.07 2jqa n ALA 96 Ca 0.77 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.82 2jqa n ALA 96 Cb 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 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 0.57 1.51 0.00 0.00 0.63 -1.26 -4.74 116.66 113.36 2jqa n ARG 97 Ca 0.00 -1.72 0.00 0.00 -0.92 0.00 0.00 57.85 55.21 2jqa n ARG 97 Cb 0.00 -2.80 0.00 0.00 0.45 0.00 0.00 32.46 30.11 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 4.41 4.28 2.83 5.14 0.00 -1.22 -5.14 105.19 115.49 2jqa n GLY 98 Ca 0.48 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 2jqa n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jqa s THR 99 N -0.10 -0.30 -0.50 2.61 2.01 -1.26 -4.83 115.64 113.27 2jqa s THR 99 Ca 0.00 0.18 -0.18 0.00 0.31 0.00 0.00 61.69 61.99 2jqa s THR 99 Cb 0.00 -0.45 0.06 0.00 0.01 0.00 0.00 72.50 72.12 2jqa s THR 99 CO 0.00 0.02 0.57 -0.22 -0.69 0.00 0.00 174.62 174.30 2jqa s LEU 100 N 2.32 5.11 -0.04 4.42 2.96 -1.26 -4.86 118.68 127.34 2jqa s LEU 100 Ca 0.04 -1.01 -0.08 0.00 -0.22 0.00 0.00 54.13 52.86 2jqa s LEU 100 Cb -0.13 -2.39 -0.05 0.00 0.50 0.00 0.00 46.19 44.12 2jqa s LEU 100 CO -0.08 -0.84 0.25 0.42 -1.32 0.00 0.00 176.35 174.78 2jqa s THR 101 N 2.41 5.32 -0.57 3.68 -4.23 -1.26 -1.18 115.64 119.80 2jqa s THR 101 Ca 0.13 0.31 0.04 0.00 -1.18 0.00 0.00 61.69 60.99 2jqa s THR 101 Cb -0.20 -3.54 0.16 0.00 1.34 0.00 0.00 72.50 70.26 2jqa s THR 101 CO 0.11 0.49 0.39 -0.22 -0.54 0.00 0.00 174.62 174.85 2jqa s LEU 102 N -1.38 3.62 -0.14 4.79 2.96 -0.65 -4.59 118.68 123.29 2jqa s LEU 102 Ca 0.23 -3.39 -0.30 0.00 -0.22 0.00 0.00 54.13 50.45 2jqa s LEU 102 Cb -0.13 -1.25 0.11 0.00 0.50 0.00 0.00 46.19 45.41 2jqa s LEU 102 CO 0.11 -0.15 0.92 0.00 -1.32 0.00 0.00 176.35 175.92 2jqa s GLN 103 N -0.69 0.70 0.00 1.98 -2.07 0.23 -0.41 119.66 119.40 2jqa s GLN 103 Ca 0.25 0.18 0.00 0.00 -1.82 0.00 0.00 55.36 53.97 2jqa s GLN 103 Cb -0.08 0.33 0.00 0.00 -1.09 0.00 0.00 33.01 32.17 2jqa s GLN 103 CO -0.13 -0.22 0.55 0.54 -1.32 0.00 0.00 175.29 174.71 2jqa n ARG 104 N 0.79 0.00 -0.36 9.60 5.12 -1.20 -0.59 116.66 130.02 2jqa n ARG 104 Ca -0.12 0.15 0.06 0.00 -1.93 0.00 0.00 57.85 56.01 2jqa n ARG 104 Cb 0.58 -1.67 0.23 0.00 -1.16 0.00 0.00 32.46 30.44 2jqa n ARG 104 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2jqa h ASP 105 N 0.00 0.94 0.00 0.55 1.82 -1.99 -3.43 116.42 114.31 2jqa h ASP 105 Ca 0.00 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2jqa h ASP 105 Cb 0.33 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.19 2jqa h ASP 105 CO 0.00 0.53 0.00 0.61 -1.61 0.00 0.00 179.24 178.77 2jqa n GLY 106 N -1.36 0.11 2.86 -0.78 0.00 0.24 -4.60 105.19 101.66 2jqa n GLY 106 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 -0.00 0.22 1.61 -1.08 0.02 -0.88 116.67 116.56 2jqa s ASP 107 Ca 0.00 0.07 -0.16 0.00 -0.52 0.00 0.00 52.55 51.94 2jqa s ASP 107 Cb 0.00 0.03 0.01 0.00 -1.46 0.00 0.00 42.92 41.50 2jqa s ASP 107 CO 0.00 -0.06 0.53 -1.38 0.52 0.00 0.00 175.17 174.78 2jqa s HIS 108 N 0.43 0.04 0.02 -5.34 -3.43 -1.09 0.74 115.29 106.67 2jqa s HIS 108 Ca -0.03 -0.41 0.03 0.00 -0.80 0.00 0.00 55.06 53.84 2jqa s HIS 108 Cb -0.05 0.36 -0.02 0.00 -1.43 0.00 0.00 32.58 31.45 2jqa s HIS 108 CO -0.01 -0.99 -0.09 0.14 -2.00 0.00 0.00 174.74 171.79 2jqa s VAL 109 N -3.93 0.73 -0.06 -5.38 -7.23 -1.26 -1.22 120.40 102.05 2jqa s VAL 109 Ca 0.14 -0.74 -0.02 0.00 -1.81 0.00 0.00 61.98 59.55 2jqa s VAL 109 Cb -0.02 -0.68 0.03 0.00 0.56 0.00 0.00 36.38 36.28 2jqa s VAL 109 CO 0.03 -0.04 0.04 -0.32 -0.31 0.00 0.00 175.10 174.50 2jqa s MET 110 N -0.86 0.15 -0.83 4.82 1.75 0.65 -2.58 119.30 122.39 2jqa s MET 110 Ca -0.01 0.27 -0.19 0.00 -1.25 0.00 0.00 55.69 54.50 2jqa s MET 110 Cb -0.06 -0.73 0.12 0.00 2.84 0.00 0.00 34.83 37.00 2jqa s MET 110 CO 0.00 -0.34 1.03 -0.51 -0.65 0.00 0.00 175.02 174.56 2jqa s LEU 111 N 2.10 5.04 -0.14 4.11 1.43 0.42 -0.82 118.68 130.83 2jqa s LEU 111 Ca 0.05 -1.80 -0.12 0.00 -1.03 0.00 0.00 54.13 51.23 2jqa s LEU 111 Cb -0.12 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 2jqa s LEU 111 CO -0.04 -1.12 0.24 -0.32 0.23 0.00 0.00 176.35 175.34 2jqa s MET 112 N 2.83 4.01 -0.61 1.70 1.75 -0.29 -2.51 119.30 126.18 2jqa s MET 112 Ca 0.28 0.03 -0.00 0.00 -1.25 0.00 0.00 55.69 54.74 2jqa s MET 112 Cb -0.09 -3.34 -0.00 0.00 2.84 0.00 0.00 34.83 34.23 2jqa s MET 112 CO -0.04 0.44 0.51 0.41 -0.65 0.00 0.00 175.02 175.69 2jqa n GLY 113 N 2.87 0.01 3.70 2.11 0.00 -1.01 -0.94 105.19 111.93 2jqa n GLY 113 Ca -0.15 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.25 2.54 -0.13 0.99 2.96 0.29 -0.85 118.68 120.23 2jqa s LEU 114 Ca 0.03 1.82 0.10 0.00 -0.22 0.00 0.00 54.13 55.86 2jqa s LEU 114 Cb -0.00 -4.26 -0.15 0.00 0.50 0.00 0.00 46.19 42.28 2jqa s LEU 114 CO 0.38 -2.77 0.02 2.29 -1.32 0.00 0.00 176.35 174.95 2jqa n LYS 115 N -3.99 1.77 -3.85 1.98 2.85 -1.25 -4.77 118.16 110.89 2jqa n LYS 115 Ca 0.09 0.01 -0.12 0.00 -1.05 0.00 0.00 58.31 57.23 2jqa n LYS 115 Cb 0.53 -1.32 -0.14 0.00 -0.65 0.00 0.00 35.03 33.45 2jqa n LYS 115 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2jqa s ARG 116 N -2.30 0.01 0.87 -1.58 0.52 -1.26 -5.08 118.95 110.13 2jqa s ARG 116 Ca -0.08 0.05 -0.12 0.00 -0.52 0.00 0.00 55.73 55.06 2jqa s ARG 116 Cb 0.04 -0.03 0.12 0.00 0.52 0.00 0.00 34.95 35.59 2jqa s ARG 116 CO 0.49 -0.03 1.12 -1.25 0.02 0.00 0.00 175.30 175.65 2jqa s PRO 117 N 0.18 1.44 -0.12 3.54 0.04 -1.26 -5.01 135.00 133.81 2jqa s PRO 117 Ca -0.01 0.44 -0.01 0.00 0.04 0.00 0.00 61.00 61.45 2jqa s PRO 117 Cb -0.02 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.69 2jqa s PRO 117 CO -0.01 -2.02 -0.01 -0.51 0.04 0.00 0.00 177.00 174.49 2jqa s LEU 118 N -5.97 0.93 -0.09 -3.56 1.43 -1.26 -5.04 118.68 105.12 2jqa s LEU 118 Ca 0.63 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 53.33 2jqa s LEU 118 Cb -0.15 -0.60 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 2jqa s LEU 118 CO 0.54 -0.20 0.14 -0.75 0.23 0.00 0.00 176.35 176.30 2jqa s LYS 119 N 1.86 3.40 0.00 1.70 2.20 -1.26 -0.98 119.74 126.66 2jqa s LYS 119 Ca 0.03 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 2jqa s LYS 119 Cb -0.14 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 2jqa s LYS 119 CO -0.07 0.75 0.00 1.55 -0.36 0.00 0.00 175.35 177.22 2jqa n VAL 120 N 1.77 0.00 0.37 4.02 3.14 -1.26 -0.96 118.33 125.41 2jqa n VAL 120 Ca -0.18 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.24 2jqa n VAL 120 Cb 0.54 0.00 0.19 0.00 -1.06 0.00 0.00 33.84 33.52 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 -0.77 -0.53 3.76 7.55 0.00 -1.26 -2.52 105.19 111.42 2jqa n GLY 121 Ca 0.00 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.56 4.66 0.25 1.61 2.12 -0.13 -4.93 118.70 119.72 2jqa s GLU 122 Ca 0.07 1.27 -0.16 0.00 0.36 0.00 0.00 54.97 56.52 2jqa s GLU 122 Cb 0.05 -3.28 -0.08 0.00 0.26 0.00 0.00 34.13 31.08 2jqa s GLU 122 CO 0.12 0.52 0.68 0.99 -0.54 0.00 0.00 175.26 177.03 2jqa s THR 123 N -1.05 4.71 -0.11 -1.70 2.01 -1.26 -1.93 115.64 116.31 2jqa s THR 123 Ca 0.38 0.97 0.02 0.00 0.31 0.00 0.00 61.69 63.37 2jqa s THR 123 Cb -0.24 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.57 2jqa s THR 123 CO 0.28 0.03 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.38 2jqa s VAL 124 N -1.73 1.58 -0.22 3.82 1.01 0.42 -4.93 120.40 120.35 2jqa s VAL 124 Ca 0.47 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 2jqa s VAL 124 Cb -0.13 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2jqa s VAL 124 CO 0.19 0.46 1.40 0.20 0.00 0.00 0.00 175.10 177.35 2jqa s ASN 125 N 0.87 6.67 0.00 3.32 0.01 -1.26 -1.06 114.94 123.48 2jqa s ASN 125 Ca -0.09 1.54 0.06 0.00 -0.71 0.00 0.00 52.86 53.66 2jqa s ASN 125 Cb -0.15 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 38.95 2jqa s ASN 125 CO -0.00 -1.03 -0.19 -0.51 -1.51 0.00 0.00 177.10 173.86 2jqa s ILE 126 N 4.33 1.50 -0.05 0.60 -1.16 -0.80 -4.87 121.20 120.75 2jqa s ILE 126 Ca 0.61 -0.90 0.03 0.00 -0.51 0.00 0.00 60.65 59.88 2jqa s ILE 126 Cb -0.22 -1.26 0.01 0.00 0.61 0.00 0.00 42.46 41.60 2jqa s ILE 126 CO 0.23 0.34 -0.12 -0.89 -2.81 0.00 0.00 174.94 171.70 2jqa s THR 127 N -0.54 1.03 -0.24 4.00 2.01 -0.50 -0.35 115.64 121.04 2jqa s THR 127 Ca 0.07 -0.46 -0.26 0.00 0.31 0.00 0.00 61.69 61.35 2jqa s THR 127 Cb -0.08 -0.93 0.07 0.00 0.01 0.00 0.00 72.50 71.58 2jqa s THR 127 CO -0.00 0.32 0.71 -1.48 -0.69 0.00 0.00 174.62 173.48 2jqa s LEU 128 N 0.39 -0.71 -0.01 4.42 2.34 -0.98 -0.44 118.68 123.68 2jqa s LEU 128 Ca -0.08 1.34 -0.07 0.00 0.06 0.00 0.00 54.13 55.38 2jqa s LEU 128 Cb -0.12 2.46 0.00 0.00 -0.56 0.00 0.00 46.19 47.97 2jqa s LEU 128 CO 0.02 -0.29 0.14 -0.75 -1.06 0.00 0.00 176.35 174.41 2jqa s LYS 129 N 0.17 0.43 0.80 1.48 2.20 -1.26 -1.06 119.74 122.49 2jqa s LYS 129 Ca -0.01 -0.28 -0.11 0.00 -0.36 0.00 0.00 55.97 55.21 2jqa s LYS 129 Cb -0.04 0.18 0.07 0.00 -1.51 0.00 0.00 37.83 36.53 2jqa s LYS 129 CO 0.02 -0.10 1.10 0.00 -0.36 0.00 0.00 175.35 176.02 2jqa s ALA 130 N -1.10 2.11 0.06 3.13 0.00 -0.63 -0.96 121.76 124.37 2jqa s ALA 130 Ca -0.12 0.34 -0.19 0.00 0.00 0.00 0.00 51.96 52.00 2jqa s ALA 130 Cb -0.06 -3.31 -0.12 0.00 0.00 0.00 0.00 23.12 19.63 2jqa s ALA 130 CO 0.01 -1.94 1.40 1.15 0.00 0.00 0.00 175.76 176.37 2jqa h THR 131 N -1.23 1.32 -2.87 0.00 2.02 -1.91 -3.45 112.91 106.79 2jqa h THR 131 Ca -0.44 -1.25 -0.24 0.00 0.77 0.00 0.00 66.41 65.25 2jqa h THR 131 Cb 1.24 1.71 -0.34 0.00 -1.74 0.00 0.00 68.15 69.02 2jqa h THR 131 CO 0.50 0.38 -0.57 -1.81 0.37 0.00 0.00 175.52 174.39 2jqa s ASP 132 N -6.17 0.55 0.00 4.18 1.01 -1.26 -5.07 116.67 109.91 2jqa s ASP 132 Ca -0.14 0.45 0.00 0.00 0.71 0.00 0.00 52.55 53.57 2jqa s ASP 132 Cb 0.06 0.57 0.00 0.00 1.01 0.00 0.00 42.92 44.56 2jqa s ASP 132 CO 0.77 -0.25 0.00 0.61 0.21 0.00 0.00 175.17 176.51 2jqa n GLY 133 N 5.34 0.40 0.99 0.21 0.00 -1.26 -5.05 105.19 105.82 2jqa n GLY 133 Ca -0.06 -1.37 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 2jqa n GLY 133 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jqa n ARG 134 N 0.00 0.90 0.00 1.61 1.85 -1.26 -4.85 116.66 114.91 2jqa n ARG 134 Ca 0.00 -1.02 0.00 0.00 -1.00 0.00 0.00 57.85 55.83 2jqa n ARG 134 Cb 0.00 0.53 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 2jqa n ARG 134 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2jqa n THR 135 N -0.28 -0.07 0.00 8.89 -1.04 -1.26 -1.60 114.28 118.93 2jqa n THR 135 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2jqa n THR 135 Cb 0.18 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 2jqa n THR 135 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jqa n LEU 136 N -0.18 0.00 -4.55 -4.42 -0.00 -0.23 -4.20 117.00 103.42 2jqa n LEU 136 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.63 2jqa n LEU 136 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 2jqa n LEU 136 CO 0.00 0.00 1.49 0.54 -0.00 0.00 0.00 177.39 179.42 2jqa s ASN 137 N 2.00 5.49 0.12 1.45 4.22 -1.26 -2.33 114.94 124.62 2jqa s ASN 137 Ca 0.00 0.04 0.04 0.00 -2.14 0.00 0.00 52.86 50.80 2jqa s ASN 137 Cb 0.00 -2.54 -0.04 0.00 1.28 0.00 0.00 41.25 39.95 2jqa s ASN 137 CO 0.00 -2.27 0.13 -0.69 -2.04 0.00 0.00 177.10 172.23 2jqa s VAL 138 N 8.32 4.61 -0.16 3.54 1.01 0.52 -4.99 120.40 133.26 2jqa s VAL 138 Ca 0.60 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 61.46 2jqa s VAL 138 Cb -0.11 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2jqa s VAL 138 CO 0.17 0.00 0.69 0.00 0.00 0.00 0.00 175.10 175.96 2jqa s ALA 139 N -1.59 3.49 0.44 5.51 0.00 -1.26 -1.90 121.76 126.45 2jqa s ALA 139 Ca 0.31 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.20 2jqa s ALA 139 Cb -0.11 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 2jqa s ALA 139 CO 0.23 -0.45 0.03 0.00 0.00 0.00 0.00 175.76 175.57 2jqa s ALA 140 N 1.66 3.46 0.18 0.00 0.00 -0.23 -4.79 121.76 122.04 2jqa s ALA 140 Ca 0.33 -1.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.97 2jqa s ALA 140 Cb -0.16 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 2jqa s ALA 140 CO 0.13 -0.13 0.15 0.99 0.00 0.00 0.00 175.76 176.90 2jqa s THR 141 N -2.91 0.03 0.39 0.00 2.01 -1.08 -0.44 115.64 113.64 2jqa s THR 141 Ca 0.21 -1.88 0.00 0.00 0.31 0.00 0.00 61.69 60.32 2jqa s THR 141 Cb 0.05 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 2jqa s THR 141 CO 0.11 -0.14 0.60 -0.69 -0.69 0.00 0.00 174.62 173.81 2jqa s VAL 142 N -4.11 4.76 -0.30 3.82 1.01 -0.81 -1.52 120.40 123.25 2jqa s VAL 142 Ca 0.32 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 2jqa s VAL 142 Cb 0.06 -3.75 0.17 0.00 0.00 0.00 0.00 36.38 32.87 2jqa s VAL 142 CO 0.08 -0.51 0.79 -0.75 0.00 0.00 0.00 175.10 174.71 2jqa s LYS 143 N -4.42 0.43 0.06 2.72 2.20 -0.04 -4.41 119.74 116.28 2jqa s LYS 143 Ca 0.43 0.89 -0.33 0.00 -0.36 0.00 0.00 55.97 56.61 2jqa s LYS 143 Cb -0.10 0.52 -0.12 0.00 -1.51 0.00 0.00 37.83 36.62 2jqa s LYS 143 CO 0.37 -0.34 1.79 0.36 -0.36 0.00 0.00 175.35 177.18 2jqa n LYS 144 N 5.35 2.45 0.00 4.03 2.85 -1.25 -4.48 118.16 127.11 2jqa n LYS 144 Ca -0.06 0.89 0.00 0.00 -1.05 0.00 0.00 58.31 58.09 2jqa n LYS 144 Cb 0.51 -2.74 0.00 0.00 -0.65 0.00 0.00 35.03 32.15 2jqa n LYS 144 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2jqa n ASN 145 N 5.49 0.00 0.04 -5.58 3.02 -1.25 -5.06 115.26 111.92 2jqa n ASN 145 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 2jqa n ASN 145 Cb 0.33 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 2jqa n ASN 145 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2jqa n ILE 146 N 0.00 0.18 0.00 2.41 -0.00 -1.26 -5.14 119.36 115.55 2jqa n ILE 146 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 62.75 62.81 2jqa n ILE 146 Cb 0.00 -0.90 0.00 0.00 -0.00 0.00 0.00 39.64 38.74 2jqa n ILE 146 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 2jqa n GLU 147 N -3.00 0.00 0.00 0.38 2.13 -1.26 -5.21 120.64 113.68 2jqa n GLU 147 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2jqa n GLU 147 Cb 0.12 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.83 2jqa n GLU 147 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jqa n GLY 148 N 0.00 3.15 0.00 8.31 0.00 -1.26 -5.06 105.19 110.33 2jqa n GLY 148 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2jqa n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19