#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 3.73 3.11 3.03 0.00 -1.26 -5.20 105.19 108.61 2jqa n GLY 2 Ca 0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 2jqa n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jqa s HIS 3 N -2.00 0.64 0.41 1.61 0.09 -1.26 -5.18 115.29 109.60 2jqa s HIS 3 Ca 0.00 -0.95 0.06 0.00 -0.00 0.00 0.00 55.06 54.16 2jqa s HIS 3 Cb 0.00 -0.42 -0.07 0.00 -0.00 0.00 0.00 32.58 32.09 2jqa s HIS 3 CO 0.00 -0.27 0.02 0.95 -0.00 0.00 0.00 174.74 175.44 2jqa s THR 4 N -3.53 1.74 0.07 1.30 -4.23 -1.26 -5.18 115.64 104.56 2jqa s THR 4 Ca 0.06 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.47 2jqa s THR 4 Cb 0.05 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 71.04 2jqa s THR 4 CO -0.07 0.00 0.22 -0.04 -0.54 0.00 0.00 174.62 174.18 2jqa s MET 5 N -3.76 0.82 0.00 3.99 1.00 -1.26 -5.19 119.30 114.90 2jqa s MET 5 Ca 0.31 -0.82 0.00 0.00 0.00 0.00 0.00 55.69 55.18 2jqa s MET 5 Cb 0.09 0.34 0.00 0.00 0.00 0.00 0.00 34.83 35.25 2jqa s MET 5 CO 0.16 -0.26 0.00 -0.35 0.00 0.00 0.00 175.02 174.57 2jqa n PRO 6 N 0.17 0.34 -4.09 2.03 -0.04 -1.26 -5.15 135.00 126.99 2jqa n PRO 6 Ca -0.16 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.18 2jqa n PRO 6 Cb 0.61 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 34.01 2jqa n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jqa s ALA 7 N -3.52 0.45 0.24 0.55 0.00 -1.26 -5.20 121.76 113.02 2jqa s ALA 7 Ca 0.00 -1.29 -0.22 0.00 0.00 0.00 0.00 51.96 50.45 2jqa s ALA 7 Cb 0.00 1.20 0.05 0.00 0.00 0.00 0.00 23.12 24.37 2jqa s ALA 7 CO 0.00 -0.75 0.84 -3.38 0.00 0.00 0.00 175.76 172.47 2jqa s HIS 8 N -3.89 -0.10 -0.03 0.00 -3.43 -1.26 -5.19 115.29 101.39 2jqa s HIS 8 Ca 0.30 -0.33 -0.28 0.00 -0.80 0.00 0.00 55.06 53.95 2jqa s HIS 8 Cb 0.02 0.70 0.06 0.00 -1.43 0.00 0.00 32.58 31.93 2jqa s HIS 8 CO 0.12 -1.11 0.62 -0.08 -2.00 0.00 0.00 174.74 172.29 2jqa s THR 9 N -3.32 0.01 0.27 -5.38 -1.32 -1.26 -5.17 115.64 99.47 2jqa s THR 9 Ca 0.13 -0.08 -0.29 0.00 -1.21 0.00 0.00 61.69 60.24 2jqa s THR 9 Cb -0.04 -0.95 -0.09 0.00 -1.51 0.00 0.00 72.50 69.91 2jqa s THR 9 CO 0.06 -0.04 1.03 -2.16 -2.21 0.00 0.00 174.62 171.29 2jqa s PRO 10 N -1.38 4.70 0.88 7.08 0.04 -1.26 -5.08 135.00 139.98 2jqa s PRO 10 Ca -0.11 1.66 -0.11 0.00 0.04 0.00 0.00 61.00 62.48 2jqa s PRO 10 Cb -0.01 -3.18 0.17 0.00 0.04 0.00 0.00 34.50 31.52 2jqa s PRO 10 CO 0.08 0.32 1.21 -1.25 0.04 0.00 0.00 177.00 177.40 2jqa s PRO 11 N -1.42 1.03 0.07 0.56 0.04 -1.26 -5.14 135.00 128.88 2jqa s PRO 11 Ca 0.44 -0.60 -0.18 0.00 0.04 0.00 0.00 61.00 60.70 2jqa s PRO 11 Cb -0.29 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.29 2jqa s PRO 11 CO 0.36 -2.07 0.42 0.00 0.04 0.00 0.00 177.00 175.75 2jqa s ALA 12 N -3.64 -1.02 -0.96 8.56 0.00 -1.26 -5.12 121.76 118.32 2jqa s ALA 12 Ca 0.71 0.24 -0.20 0.00 0.00 0.00 0.00 51.96 52.71 2jqa s ALA 12 Cb -0.05 0.44 0.10 0.00 0.00 0.00 0.00 23.12 23.61 2jqa s ALA 12 CO 0.50 -0.51 1.25 -0.65 0.00 0.00 0.00 175.76 176.35 2jqa s GLN 13 N -2.82 3.59 -0.29 0.00 1.11 -1.26 -4.88 119.66 115.12 2jqa s GLN 13 Ca -0.03 -1.50 0.03 0.00 0.01 0.00 0.00 55.36 53.87 2jqa s GLN 13 Cb -0.00 -5.08 0.18 0.00 -1.01 0.00 0.00 33.01 27.10 2jqa s GLN 13 CO -0.05 -1.95 0.50 0.99 0.01 0.00 0.00 175.29 174.79 2jqa s THR 14 N 3.61 -0.81 -0.35 -0.19 2.01 -1.26 -5.12 115.64 113.53 2jqa s THR 14 Ca 0.38 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.26 2jqa s THR 14 Cb -0.03 -0.98 0.15 0.00 0.01 0.00 0.00 72.50 71.64 2jqa s THR 14 CO -0.09 -0.13 0.32 0.00 -0.69 0.00 0.00 174.62 174.03 2jqa s ALA 15 N 2.69 -0.18 0.06 7.40 0.00 -1.26 -5.14 121.76 125.33 2jqa s ALA 15 Ca 0.11 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 50.79 2jqa s ALA 15 Cb -0.12 -1.90 -0.05 0.00 0.00 0.00 0.00 23.12 21.05 2jqa s ALA 15 CO -0.27 -2.02 1.02 -1.25 0.00 0.00 0.00 175.76 173.25 2jqa s PRO 16 N 1.61 4.58 -1.32 0.00 0.04 -1.26 -4.98 135.00 133.67 2jqa s PRO 16 Ca 0.15 1.52 -0.07 0.00 0.04 0.00 0.00 61.00 62.64 2jqa s PRO 16 Cb -0.16 -3.40 0.13 0.00 0.04 0.00 0.00 34.50 31.11 2jqa s PRO 16 CO -0.11 0.00 2.23 0.00 0.04 0.00 0.00 177.00 179.17 2jqa n ALA 17 N 3.43 6.35 -2.13 8.56 0.00 -1.26 -4.98 120.51 130.48 2jqa n ALA 17 Ca 0.05 -4.15 -0.41 0.00 0.00 0.00 0.00 53.44 48.93 2jqa n ALA 17 Cb 0.49 -2.85 -0.03 0.00 0.00 0.00 0.00 19.45 17.06 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 -0.57 2.63 0.31 0.00 0.00 -1.26 -4.67 121.76 118.20 2jqa s ALA 18 Ca 0.50 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2jqa s ALA 18 Cb 0.15 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 19.15 2jqa s ALA 18 CO -0.06 -3.10 0.00 0.94 0.00 0.00 0.00 175.76 173.54 2jqa n GLN 19 N 8.69 0.00 0.21 0.00 7.27 -1.26 -4.97 117.38 127.32 2jqa n GLN 19 Ca 0.19 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.32 2jqa n GLN 19 Cb 0.49 0.00 0.47 0.00 2.41 0.00 0.00 30.24 33.61 2jqa n GLN 19 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2jqa h LYS 20 N 0.00 0.00 -6.19 3.69 3.11 -2.05 -3.45 116.57 111.68 2jqa h LYS 20 Ca 0.00 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.67 2jqa h LYS 20 Cb 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.19 2jqa h LYS 20 CO 0.00 0.28 -0.26 0.00 -2.81 0.00 0.00 179.45 176.65 2jqa n ALA 21 N -2.42 -1.33 -1.35 5.00 0.00 -1.26 -4.85 120.51 114.30 2jqa n ALA 21 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2jqa n ALA 21 Cb 0.34 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.41 2jqa n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jqa n GLY 22 N -1.36 0.09 0.50 0.00 0.00 -1.26 -5.15 105.19 98.01 2jqa n GLY 22 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.04 -1.30 -3.11 4.61 0.00 -1.26 -5.07 120.51 112.34 2jqa n ALA 23 Ca 0.00 0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.59 2jqa n ALA 23 Cb 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 19.45 18.83 2jqa n ALA 23 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2jqa s GLN 24 N -2.80 0.43 -1.34 0.00 1.11 -1.26 -5.08 119.66 110.73 2jqa s GLN 24 Ca 0.00 -0.20 -0.15 0.00 0.01 0.00 0.00 55.36 55.02 2jqa s GLN 24 Cb 0.00 0.19 0.08 0.00 -1.01 0.00 0.00 33.01 32.27 2jqa s GLN 24 CO 0.00 -0.10 1.88 0.00 0.01 0.00 0.00 175.29 177.08 2jqa n ALA 25 N 1.84 4.44 -2.89 6.09 0.00 -1.26 -4.92 120.51 123.82 2jqa n ALA 25 Ca -0.20 -3.96 -0.32 0.00 0.00 0.00 0.00 53.44 48.96 2jqa n ALA 25 Cb 0.56 -3.45 -0.16 0.00 0.00 0.00 0.00 19.45 16.40 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 2.77 2.16 -0.40 0.00 2.01 -1.26 -5.04 118.68 118.92 2jqa s LEU 26 Ca 0.49 -0.50 -0.06 0.00 0.01 0.00 0.00 54.13 54.07 2jqa s LEU 26 Cb 0.07 -1.41 -0.20 0.00 0.01 0.00 0.00 46.19 44.66 2jqa s LEU 26 CO 0.01 0.22 3.20 -0.81 1.01 0.00 0.00 176.35 179.98 2jqa n PRO 27 N 3.12 2.24 -3.80 1.29 -0.04 -1.26 -4.89 135.00 131.67 2jqa n PRO 27 Ca -0.18 -1.22 -0.33 0.00 -0.04 0.00 0.00 63.50 61.73 2jqa n PRO 27 Cb 0.52 -2.16 -0.05 0.00 -0.04 0.00 0.00 33.50 31.77 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 1.51 5.31 -0.19 0.52 0.11 -1.26 -4.85 120.40 121.55 2jqa s VAL 28 Ca 0.62 -0.03 -0.01 0.00 -2.93 0.00 0.00 61.98 59.63 2jqa s VAL 28 Cb 0.26 -3.59 0.01 0.00 -1.53 0.00 0.00 36.38 31.53 2jqa s VAL 28 CO -0.01 0.24 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.97 2jqa s THR 29 N -1.42 2.60 0.44 5.04 2.01 -1.25 -5.08 115.64 117.99 2jqa s THR 29 Ca 0.32 -0.76 -0.08 0.00 0.31 0.00 0.00 61.69 61.48 2jqa s THR 29 Cb -0.13 -2.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 2jqa s THR 29 CO 0.21 0.50 0.78 0.68 -0.69 0.00 0.00 174.62 176.10 2jqa s VAL 30 N 1.28 4.84 -1.12 3.82 -7.23 -1.26 -1.89 120.40 118.84 2jqa s VAL 30 Ca 0.04 0.43 -0.25 0.00 -1.81 0.00 0.00 61.98 60.39 2jqa s VAL 30 Cb -0.14 -3.80 -0.16 0.00 0.56 0.00 0.00 36.38 32.84 2jqa s VAL 30 CO -0.08 -0.69 2.04 0.00 -0.31 0.00 0.00 175.10 176.07 2jqa s GLN 31 N -4.29 1.75 0.00 4.82 -2.07 -1.12 -4.80 119.66 113.96 2jqa s GLN 31 Ca 0.49 -0.72 0.04 0.00 -1.82 0.00 0.00 55.36 53.36 2jqa s GLN 31 Cb -0.10 -5.09 0.25 0.00 -1.09 0.00 0.00 33.01 26.98 2jqa s GLN 31 CO 0.38 -4.82 0.62 0.41 -1.32 0.00 0.00 175.29 170.56 2jqa n GLY 32 N 6.03 -0.32 2.08 2.60 0.00 -1.26 -4.85 105.19 109.47 2jqa n GLY 32 Ca 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.70 -1.37 -2.69 4.61 0.00 -1.26 -3.44 120.51 115.65 2jqa n ALA 33 Ca 0.03 0.19 -0.37 0.00 0.00 0.00 0.00 53.44 53.29 2jqa n ALA 33 Cb 0.01 -0.87 -0.06 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 -0.22 5.23 -0.15 0.00 2.01 -0.78 -0.52 115.64 121.21 2jqa s THR 34 Ca 0.00 0.72 -0.07 0.00 0.31 0.00 0.00 61.69 62.65 2jqa s THR 34 Cb 0.00 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2jqa s THR 34 CO 0.00 0.40 0.09 -0.69 -0.69 0.00 0.00 174.62 173.73 2jqa s VAL 35 N 0.24 5.04 -0.61 3.82 1.01 0.26 -0.91 120.40 129.25 2jqa s VAL 35 Ca 0.21 0.04 -0.27 0.00 0.00 0.00 0.00 61.98 61.96 2jqa s VAL 35 Cb -0.14 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 2jqa s VAL 35 CO 0.07 0.54 1.66 0.00 0.00 0.00 0.00 175.10 177.37 2jqa s ALA 36 N -0.31 2.44 0.11 5.51 0.00 0.13 -2.09 121.76 127.56 2jqa s ALA 36 Ca 0.10 -0.75 -0.35 0.00 0.00 0.00 0.00 51.96 50.95 2jqa s ALA 36 Cb -0.12 -4.24 -0.17 0.00 0.00 0.00 0.00 23.12 18.59 2jqa s ALA 36 CO 0.01 -3.53 1.20 0.00 0.00 0.00 0.00 175.76 173.45 2jqa n ALA 37 N 11.36 -1.34 -3.35 0.00 0.00 -1.25 -4.53 120.51 121.40 2jqa n ALA 37 Ca 0.16 0.51 -0.13 0.00 0.00 0.00 0.00 53.44 53.97 2jqa n ALA 37 Cb 0.51 -2.00 -0.10 0.00 0.00 0.00 0.00 19.45 17.86 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 0.10 -0.00 0.34 0.00 1.01 -1.26 -4.57 120.40 116.03 2jqa s VAL 38 Ca 0.80 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 62.52 2jqa s VAL 38 Cb -0.96 -0.63 -0.09 0.00 0.00 0.00 0.00 36.38 34.70 2jqa s VAL 38 CO 0.51 0.00 1.04 -2.16 0.00 0.00 0.00 175.10 174.49 2jqa s PRO 39 N 0.25 4.40 0.31 2.72 0.04 -1.26 -4.74 135.00 136.73 2jqa s PRO 39 Ca -0.00 1.57 0.24 0.00 0.04 0.00 0.00 61.00 62.85 2jqa s PRO 39 Cb -0.03 -2.81 1.14 0.00 0.04 0.00 0.00 34.50 32.83 2jqa s PRO 39 CO 0.00 0.06 1.73 -1.00 0.04 0.00 0.00 177.00 177.83 2jqa h PRO 40 N 3.08 0.00 0.00 0.56 0.13 -1.97 -1.69 132.00 132.10 2jqa h PRO 40 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2jqa h PRO 40 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jqa h PRO 40 CO 0.64 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.86 2jqa n SER 41 N -2.32 0.46 -4.16 1.44 2.88 -1.26 -4.23 113.62 106.43 2jqa n SER 41 Ca 0.00 0.65 -0.37 0.00 -1.33 0.00 0.00 58.87 57.82 2jqa n SER 41 Cb 0.14 -0.73 -0.12 0.00 -0.75 0.00 0.00 64.21 62.75 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 -3.30 3.45 -1.89 2.46 1.09 -0.64 -5.00 121.20 117.38 2jqa s ILE 42 Ca 0.02 -1.81 0.00 0.00 -1.10 0.00 0.00 60.65 57.77 2jqa s ILE 42 Cb 0.07 -3.25 0.00 0.00 -1.06 0.00 0.00 42.46 38.23 2jqa s ILE 42 CO 0.28 -0.56 0.69 -2.11 -0.10 0.00 0.00 174.94 173.13 2jqa n ARG 43 N 4.67 0.73 -3.88 2.79 0.00 -1.26 -4.77 116.66 114.94 2jqa n ARG 43 Ca -0.06 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.49 2jqa n ARG 43 Cb 0.42 -1.04 -0.15 0.00 -0.00 0.00 0.00 32.46 31.68 2jqa n ARG 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2jqa s ASP 44 N -1.16 3.88 0.15 2.89 1.01 -1.26 -0.64 116.67 121.53 2jqa s ASP 44 Ca 0.00 -1.36 0.01 0.00 0.71 0.00 0.00 52.55 51.91 2jqa s ASP 44 Cb 0.00 -1.09 -0.04 0.00 1.01 0.00 0.00 42.92 42.80 2jqa s ASP 44 CO 0.00 -0.30 0.01 0.42 0.21 0.00 0.00 175.17 175.50 2jqa s THR 45 N 1.44 0.51 0.27 -1.27 -4.23 -1.15 -5.04 115.64 106.16 2jqa s THR 45 Ca 0.00 -1.95 0.07 0.00 -1.18 0.00 0.00 61.69 58.63 2jqa s THR 45 Cb -0.18 -2.02 -0.06 0.00 1.34 0.00 0.00 72.50 71.58 2jqa s THR 45 CO -0.11 -0.54 -0.07 0.00 -0.54 0.00 0.00 174.62 173.36 2jqa s ALA 46 N -3.77 2.27 0.16 3.99 0.00 -1.26 -1.01 121.76 122.14 2jqa s ALA 46 Ca 0.22 -1.86 -0.17 0.00 0.00 0.00 0.00 51.96 50.14 2jqa s ALA 46 Cb 0.06 0.16 0.04 0.00 0.00 0.00 0.00 23.12 23.38 2jqa s ALA 46 CO 0.02 -0.06 0.48 0.00 0.00 0.00 0.00 175.76 176.20 2jqa s ALA 47 N -3.02 -1.01 -0.08 0.00 0.00 -0.56 -0.69 121.76 116.39 2jqa s ALA 47 Ca 0.28 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.17 2jqa s ALA 47 Cb 0.03 0.79 0.03 0.00 0.00 0.00 0.00 23.12 23.97 2jqa s ALA 47 CO 0.11 -0.73 -0.02 0.71 0.00 0.00 0.00 175.76 175.83 2jqa s TYR 48 N -3.83 0.92 0.03 0.00 2.02 -0.09 -3.97 117.35 112.44 2jqa s TYR 48 Ca 0.05 -0.35 0.03 0.00 -0.37 0.00 0.00 57.07 56.44 2jqa s TYR 48 Cb 0.00 -0.93 -0.02 0.00 -0.40 0.00 0.00 41.96 40.61 2jqa s TYR 48 CO -0.08 -0.38 -0.08 -1.64 -1.57 0.00 0.00 175.55 171.79 2jqa s MET 49 N 1.88 0.58 -0.22 -0.62 -1.94 -0.92 -1.86 119.30 116.21 2jqa s MET 49 Ca 0.05 -0.58 -0.18 0.00 -1.71 0.00 0.00 55.69 53.27 2jqa s MET 49 Cb -0.12 -0.47 0.06 0.00 2.01 0.00 0.00 34.83 36.31 2jqa s MET 49 CO -0.06 0.11 0.57 0.99 -0.01 0.00 0.00 175.02 176.61 2jqa s THR 50 N -0.88 -0.00 -0.24 2.05 2.01 -1.26 -0.49 115.64 116.83 2jqa s THR 50 Ca -0.04 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 61.94 2jqa s THR 50 Cb -0.07 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.64 2jqa s THR 50 CO 0.00 0.01 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.69 2jqa s LEU 51 N 0.70 3.09 -0.18 4.42 1.98 -0.91 -2.79 118.68 124.98 2jqa s LEU 51 Ca -0.03 -0.57 -0.29 0.00 -2.89 0.00 0.00 54.13 50.34 2jqa s LEU 51 Cb -0.05 -1.73 -0.00 0.00 0.66 0.00 0.00 46.19 45.07 2jqa s LEU 51 CO -0.05 -0.07 1.08 -0.89 -1.89 0.00 0.00 176.35 174.53 2jqa s THR 52 N 1.43 4.60 -0.06 3.68 2.01 -0.79 -4.58 115.64 121.94 2jqa s THR 52 Ca 0.04 1.92 -0.16 0.00 0.31 0.00 0.00 61.69 63.80 2jqa s THR 52 Cb -0.15 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.07 2jqa s THR 52 CO -0.03 -0.13 0.41 0.54 -0.69 0.00 0.00 174.62 174.73 2jqa s ASN 53 N 1.33 6.71 -1.46 3.53 4.22 -1.26 -3.76 114.94 124.25 2jqa s ASN 53 Ca 0.47 0.85 -0.11 0.00 -2.14 0.00 0.00 52.86 51.93 2jqa s ASN 53 Cb -0.17 -2.25 0.03 0.00 1.28 0.00 0.00 41.25 40.14 2jqa s ASN 53 CO 0.11 0.19 2.41 1.17 -2.04 0.00 0.00 177.10 178.93 2jqa n LYS 54 N 2.66 3.44 0.00 3.55 0.00 -1.26 -4.88 118.16 121.67 2jqa n LYS 54 Ca -0.11 -2.74 0.00 0.00 0.00 0.00 0.00 58.31 55.46 2jqa n LYS 54 Cb 0.52 -3.01 0.00 0.00 0.00 0.00 0.00 35.03 32.54 2jqa n LYS 54 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2jqa n SER 55 N 4.46 0.00 -0.21 3.14 7.64 -1.26 -3.28 113.62 124.11 2jqa n SER 55 Ca 0.59 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.56 2jqa n SER 55 Cb 0.32 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.68 2jqa n SER 55 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jqa n ASP 56 N 0.76 2.33 -4.39 6.43 8.00 -1.26 -4.34 116.55 124.08 2jqa n ASP 56 Ca 0.00 -3.23 -0.36 0.00 0.71 0.00 0.00 54.79 51.91 2jqa n ASP 56 Cb 0.00 -0.45 -0.13 0.00 -0.02 0.00 0.00 41.12 40.51 2jqa n ASP 56 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2jqa s GLN 57 N -2.94 3.52 -0.19 -1.24 -0.21 -1.20 -4.97 119.66 112.43 2jqa s GLN 57 Ca 0.34 -0.55 -0.29 0.00 0.02 0.00 0.00 55.36 54.87 2jqa s GLN 57 Cb 0.30 -3.21 -0.00 0.00 1.00 0.00 0.00 33.01 31.10 2jqa s GLN 57 CO 0.02 -0.21 1.12 -1.25 -2.12 0.00 0.00 175.29 172.85 2jqa s PRO 58 N 1.56 4.27 0.64 2.91 0.04 -1.26 -4.59 135.00 138.57 2jqa s PRO 58 Ca 0.06 1.48 -0.08 0.00 0.04 0.00 0.00 61.00 62.50 2jqa s PRO 58 Cb -0.15 -3.66 0.01 0.00 0.04 0.00 0.00 34.50 30.74 2jqa s PRO 58 CO 0.01 -0.61 0.98 0.42 0.04 0.00 0.00 177.00 177.83 2jqa s ILE 59 N 3.12 3.51 -0.07 0.56 -1.09 -1.26 -5.00 121.20 120.96 2jqa s ILE 59 Ca 0.49 0.15 -0.06 0.00 -2.23 0.00 0.00 60.65 59.00 2jqa s ILE 59 Cb -0.18 -3.43 0.02 0.00 -1.58 0.00 0.00 42.46 37.29 2jqa s ILE 59 CO 0.11 -0.49 0.18 -1.59 -1.23 0.00 0.00 174.94 171.92 2jqa s LYS 60 N -5.14 0.20 -0.21 2.79 0.00 -1.26 -4.08 119.74 112.05 2jqa s LYS 60 Ca 0.56 0.27 -0.30 0.00 0.00 0.00 0.00 55.97 56.49 2jqa s LYS 60 Cb -0.11 0.08 0.16 0.00 0.00 0.00 0.00 37.83 37.96 2jqa s LYS 60 CO 0.47 -0.04 1.17 -1.17 0.00 0.00 0.00 175.35 175.79 2jqa s LEU 61 N 0.20 -0.20 -0.56 2.77 2.96 -1.26 -4.99 118.68 117.60 2jqa s LEU 61 Ca -0.01 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 2jqa s LEU 61 Cb -0.02 1.48 0.40 0.00 0.50 0.00 0.00 46.19 48.55 2jqa s LEU 61 CO -0.00 -0.21 1.34 0.55 -1.32 0.00 0.00 176.35 176.71 2jqa n VAL 62 N 0.52 2.79 0.00 1.68 3.14 0.76 -2.94 118.33 124.28 2jqa n VAL 62 Ca -0.05 -4.84 0.00 0.00 -2.96 0.00 0.00 64.34 56.49 2jqa n VAL 62 Cb 0.58 -1.28 0.00 0.00 -1.06 0.00 0.00 33.84 32.09 2jqa n VAL 62 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2jqa n GLY 63 N -0.47 -0.29 3.90 7.55 0.00 -1.26 -4.67 105.19 109.95 2jqa n GLY 63 Ca 0.42 -1.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.12 3.35 0.29 4.61 0.00 -1.26 -2.80 121.76 123.83 2jqa s ALA 64 Ca 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 51.96 51.37 2jqa s ALA 64 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.48 2jqa s ALA 64 CO 0.00 -0.47 0.48 0.00 0.00 0.00 0.00 175.76 175.78 2jqa s ALA 65 N -2.83 0.16 -0.28 0.00 0.00 0.23 -4.90 121.76 114.14 2jqa s ALA 65 Ca 0.49 -1.14 -0.23 0.00 0.00 0.00 0.00 51.96 51.08 2jqa s ALA 65 Cb -0.10 1.09 0.09 0.00 0.00 0.00 0.00 23.12 24.20 2jqa s ALA 65 CO 0.46 -0.83 0.83 -0.08 0.00 0.00 0.00 175.76 176.14 2jqa s THR 66 N -3.54 0.00 -0.63 0.00 -1.32 -1.26 -1.89 115.64 107.00 2jqa s THR 66 Ca 0.26 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.98 2jqa s THR 66 Cb -0.01 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.15 2jqa s THR 66 CO 0.13 0.00 1.50 1.55 -2.21 0.00 0.00 174.62 175.59 2jqa h PRO 67 N 5.15 0.00 -0.03 7.08 0.13 -1.98 -3.36 132.00 139.00 2jqa h PRO 67 Ca -0.29 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.61 2jqa h PRO 67 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2jqa h PRO 67 CO 0.10 0.00 -0.93 -0.07 -0.23 0.00 0.00 178.00 176.87 2jqa h LEU 68 N 0.00 0.68 -9.02 1.56 3.38 -1.88 -3.42 115.31 106.62 2jqa h LEU 68 Ca 0.00 -0.52 -0.57 0.00 0.09 0.00 0.00 57.88 56.88 2jqa h LEU 68 Cb 0.78 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2jqa h LEU 68 CO 0.00 1.32 1.04 0.00 0.09 0.00 0.00 178.44 180.89 2jqa s ALA 69 N -3.38 3.36 0.66 1.53 0.00 -1.26 -4.15 121.76 118.51 2jqa s ALA 69 Ca -0.07 0.32 0.35 0.00 0.00 0.00 0.00 51.96 52.55 2jqa s ALA 69 Cb 0.08 -3.80 1.90 0.00 0.00 0.00 0.00 23.12 21.31 2jqa s ALA 69 CO 0.88 -1.79 2.10 1.15 0.00 0.00 0.00 175.76 178.10 2jqa h THR 70 N 5.99 0.07 -2.49 0.00 2.02 -0.31 -3.38 112.91 114.81 2jqa h THR 70 Ca -0.30 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.79 2jqa h THR 70 Cb 1.13 0.80 -0.27 0.00 -1.74 0.00 0.00 68.15 68.06 2jqa h THR 70 CO 1.01 0.00 -0.35 -0.44 0.37 0.00 0.00 175.52 176.11 2jqa s SER 71 N -4.87 -0.31 -0.12 4.18 0.01 -0.23 -4.97 113.70 107.39 2jqa s SER 71 Ca -0.04 1.02 -0.30 0.00 1.31 0.00 0.00 55.95 57.95 2jqa s SER 71 Cb 0.11 1.38 -0.01 0.00 0.21 0.00 0.00 66.02 67.71 2jqa s SER 71 CO 0.36 -0.23 1.05 -2.16 0.41 0.00 0.00 173.24 172.67 2jqa s PRO 72 N 2.59 4.38 -0.18 12.44 0.04 -1.26 -1.90 135.00 151.11 2jqa s PRO 72 Ca -0.02 1.44 0.01 0.00 0.04 0.00 0.00 61.00 62.46 2jqa s PRO 72 Cb -0.12 -3.57 0.04 0.00 0.04 0.00 0.00 34.50 30.89 2jqa s PRO 72 CO -0.13 -0.39 -0.11 -1.64 0.04 0.00 0.00 177.00 174.77 2jqa s MET 73 N 2.26 2.05 0.05 4.56 -1.94 -0.17 -4.98 119.30 121.13 2jqa s MET 73 Ca 0.49 -0.73 0.09 0.00 -1.71 0.00 0.00 55.69 53.82 2jqa s MET 73 Cb -0.19 -2.29 -0.03 0.00 2.01 0.00 0.00 34.83 34.33 2jqa s MET 73 CO 0.17 -0.37 -0.24 -0.48 -0.01 0.00 0.00 175.02 174.08 2jqa s LEU 74 N 1.44 2.19 -0.12 -0.03 -0.00 -1.26 0.04 118.68 120.94 2jqa s LEU 74 Ca 0.01 -0.58 -0.05 0.00 -0.00 0.00 0.00 54.13 53.51 2jqa s LEU 74 Cb -0.15 -1.16 0.06 0.00 -0.00 0.00 0.00 46.19 44.94 2jqa s LEU 74 CO -0.09 0.21 0.24 -0.04 -0.00 0.00 0.00 176.35 176.67 2jqa s MET 75 N -1.31 0.13 0.08 1.48 -1.94 -0.76 -4.23 119.30 112.75 2jqa s MET 75 Ca 0.10 0.68 0.06 0.00 -1.71 0.00 0.00 55.69 54.82 2jqa s MET 75 Cb -0.10 -0.09 -0.04 0.00 2.01 0.00 0.00 34.83 36.61 2jqa s MET 75 CO 0.02 -0.27 -0.10 -0.08 -0.01 0.00 0.00 175.02 174.58 2jqa s THR 76 N 2.19 3.35 0.31 2.05 -1.32 -0.49 -2.46 115.64 119.27 2jqa s THR 76 Ca -0.00 -1.17 0.02 0.00 -1.21 0.00 0.00 61.69 59.32 2jqa s THR 76 Cb -0.12 -2.53 -0.01 0.00 -1.51 0.00 0.00 72.50 68.33 2jqa s THR 76 CO -0.08 0.19 0.37 0.35 -2.21 0.00 0.00 174.62 173.23 2jqa n THR 77 N 0.95 0.00 -2.78 5.08 -2.24 0.55 -1.53 114.28 114.32 2jqa n THR 77 Ca -0.14 -1.88 -0.42 0.00 -2.27 0.00 0.00 64.05 59.34 2jqa n THR 77 Cb 0.52 1.05 0.01 0.00 -2.10 0.00 0.00 70.33 69.82 2jqa n THR 77 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jqa n THR 78 N -0.55 5.70 -3.67 4.28 -2.24 -1.26 -0.74 114.28 115.79 2jqa n THR 78 Ca 0.03 -5.87 -0.09 0.00 -2.27 0.00 0.00 64.05 55.85 2jqa n THR 78 Cb 0.54 -1.83 -0.09 0.00 -2.10 0.00 0.00 70.33 66.86 2jqa n THR 78 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2jqa s HIS 79 N -3.41 -0.82 0.00 4.78 5.04 -1.26 -4.86 115.29 114.76 2jqa s HIS 79 Ca 0.36 1.67 0.00 0.00 -1.54 0.00 0.00 55.06 55.55 2jqa s HIS 79 Cb 0.12 0.43 0.00 0.00 0.04 0.00 0.00 32.58 33.18 2jqa s HIS 79 CO -0.02 -0.43 0.00 0.43 -2.34 0.00 0.00 174.74 172.38 2jqa n SER 80 N 4.35 0.00 0.19 9.88 7.64 -1.26 -3.42 113.62 131.00 2jqa n SER 80 Ca -0.21 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.72 2jqa n SER 80 Cb 0.56 0.00 0.52 0.00 -1.01 0.00 0.00 64.21 64.29 2jqa n SER 80 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2jqa h GLY 81 N 0.00 0.11 -0.52 0.23 0.00 -1.94 -3.36 103.07 97.59 2jqa h GLY 81 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2jqa h GLY 81 CO 0.00 0.05 -0.16 0.61 0.00 0.00 0.00 176.54 177.04 2jqa n GLY 82 N -1.23 -0.33 1.34 4.60 0.00 -1.26 -4.96 105.19 103.35 2jqa n GLY 82 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 2jqa n GLY 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2jqa n MET 83 N 0.00 0.20 -1.85 1.61 -0.00 -1.26 -4.87 117.12 110.95 2jqa n MET 83 Ca 0.00 -1.31 -0.42 0.00 -0.00 0.00 0.00 57.70 55.97 2jqa n MET 83 Cb 0.56 0.32 -0.03 0.00 -0.00 0.00 0.00 33.22 34.07 2jqa n MET 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jqa s ALA 84 N -0.11 3.80 -0.30 3.17 0.00 -1.26 -4.84 121.76 122.22 2jqa s ALA 84 Ca 0.09 1.40 -0.17 0.00 0.00 0.00 0.00 51.96 53.28 2jqa s ALA 84 Cb 0.14 -3.67 0.18 0.00 0.00 0.00 0.00 23.12 19.77 2jqa s ALA 84 CO -0.05 -0.94 1.16 0.20 0.00 0.00 0.00 175.76 176.13 2jqa s GLY 85 N 1.62 0.06 -0.58 0.00 0.00 0.08 -4.86 107.32 103.64 2jqa s GLY 85 Ca 0.73 3.37 -0.28 0.00 0.00 0.00 0.00 44.72 48.55 2jqa s GLY 85 CO 0.32 3.36 1.19 -3.16 0.00 0.00 0.00 173.10 174.81 2jqa s MET 86 N 2.26 3.52 0.19 2.90 0.00 -1.26 -2.12 119.30 124.80 2jqa s MET 86 Ca -0.01 0.26 -0.23 0.00 0.00 0.00 0.00 55.69 55.71 2jqa s MET 86 Cb -0.03 -4.01 0.05 0.00 0.00 0.00 0.00 34.83 30.84 2jqa s MET 86 CO -0.16 -1.67 0.66 0.21 0.00 0.00 0.00 175.02 174.06 2jqa s LYS 87 N 4.92 1.43 -0.60 3.16 2.20 -0.58 -4.95 119.74 125.31 2jqa s LYS 87 Ca 0.43 -0.64 -0.00 0.00 -0.36 0.00 0.00 55.97 55.40 2jqa s LYS 87 Cb -0.07 0.58 0.44 0.00 -1.51 0.00 0.00 37.83 37.28 2jqa s LYS 87 CO 0.26 -0.64 1.86 0.00 -0.36 0.00 0.00 175.35 176.47 2jqa n MET 88 N -0.40 2.89 0.00 4.03 0.00 -1.26 -1.40 117.12 120.98 2jqa n MET 88 Ca -0.12 -3.50 0.00 0.00 0.00 0.00 0.00 57.70 54.08 2jqa n MET 88 Cb 0.63 -2.29 0.00 0.00 0.00 0.00 0.00 33.22 31.56 2jqa n MET 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 175.97 177.52 2jqa n VAL 89 N -0.85 0.00 0.00 3.17 3.14 -1.26 -4.83 118.33 117.70 2jqa n VAL 89 Ca 0.58 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.96 2jqa n VAL 89 Cb 0.69 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.47 2jqa n VAL 89 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2jqa n PRO 90 N -0.11 1.27 -3.70 1.45 -0.04 -1.26 -4.82 135.00 127.80 2jqa n PRO 90 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 2jqa n PRO 90 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 2jqa n PRO 90 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2jqa s TRP 91 N 0.00 -0.21 0.26 0.54 -2.14 -1.26 -4.97 118.94 111.15 2jqa s TRP 91 Ca 0.00 0.16 -0.05 0.00 2.66 0.00 0.00 56.10 58.87 2jqa s TRP 91 Cb 0.00 0.17 -0.05 0.00 -3.10 0.00 0.00 33.47 30.49 2jqa s TRP 91 CO 0.00 -0.54 0.52 -1.17 -2.66 0.00 0.00 176.95 173.10 2jqa s LEU 92 N -1.96 4.11 0.06 -4.66 0.20 -1.15 -4.52 118.68 110.75 2jqa s LEU 92 Ca -0.06 0.70 0.00 0.00 0.69 0.00 0.00 54.13 55.46 2jqa s LEU 92 Cb -0.01 -3.49 0.00 0.00 -0.43 0.00 0.00 46.19 42.25 2jqa s LEU 92 CO -0.02 -0.14 0.00 0.41 -0.29 0.00 0.00 176.35 176.31 2jqa n THR 93 N -0.72 -5.95 -4.18 3.68 -1.04 -1.26 -4.99 114.28 99.81 2jqa n THR 93 Ca -0.02 1.16 -0.11 0.00 -2.04 0.00 0.00 64.05 63.04 2jqa n THR 93 Cb 0.53 -3.37 -0.10 0.00 -1.82 0.00 0.00 70.33 65.57 2jqa n THR 93 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 2jqa s ILE 94 N -0.18 0.39 0.58 12.58 -5.25 -1.26 -5.07 121.20 122.99 2jqa s ILE 94 Ca 0.00 -1.93 -0.17 0.00 -0.99 0.00 0.00 60.65 57.56 2jqa s ILE 94 Cb 0.00 -1.99 -0.04 0.00 2.95 0.00 0.00 42.46 43.38 2jqa s ILE 94 CO 0.00 -0.56 1.08 -2.84 -1.79 0.00 0.00 174.94 170.83 2jqa s PRO 95 N -3.96 3.28 0.51 0.37 0.02 -1.26 -4.65 135.00 129.30 2jqa s PRO 95 Ca 0.21 1.34 0.20 0.00 0.02 0.00 0.00 61.00 62.78 2jqa s PRO 95 Cb 0.07 -2.02 1.32 0.00 0.02 0.00 0.00 34.50 33.89 2jqa s PRO 95 CO 0.01 -0.86 2.10 0.00 -0.33 0.00 0.00 177.00 177.92 2jqa h ALA 96 N 0.65 1.66 -0.37 -1.55 0.00 -1.90 -0.31 119.26 117.44 2jqa h ALA 96 Ca -0.48 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.22 2jqa h ALA 96 Cb 1.23 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 2jqa h ALA 96 CO 0.57 0.11 0.02 0.54 0.00 0.00 0.00 179.25 180.49 2jqa n ARG 97 N -4.15 2.40 -0.04 0.00 3.00 -1.26 -4.38 116.66 112.23 2jqa n ARG 97 Ca -0.03 -3.02 -0.09 0.00 -0.01 0.00 0.00 57.85 54.70 2jqa n ARG 97 Cb 0.17 -1.87 -0.03 0.00 0.00 0.00 0.00 32.46 30.74 2jqa n ARG 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jqa n GLY 98 N -0.83 -0.26 0.18 -0.13 0.00 -0.15 -4.86 105.19 99.13 2jqa n GLY 98 Ca 0.30 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.22 2jqa n GLY 98 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2jqa n THR 99 N -3.84 -0.08 -3.46 2.61 5.66 -1.06 -4.87 114.28 109.26 2jqa n THR 99 Ca -0.15 0.10 -0.37 0.00 -3.05 0.00 0.00 64.05 60.57 2jqa n THR 99 Cb 0.44 -0.16 -0.06 0.00 -1.55 0.00 0.00 70.33 69.00 2jqa n THR 99 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 2jqa s LEU 100 N -4.72 4.34 0.04 1.09 0.05 -1.26 -4.80 118.68 113.41 2jqa s LEU 100 Ca 0.00 0.77 -0.09 0.00 0.05 0.00 0.00 54.13 54.86 2jqa s LEU 100 Cb 0.00 -2.55 0.00 0.00 -2.05 0.00 0.00 46.19 41.59 2jqa s LEU 100 CO 0.00 0.15 0.19 -0.89 -0.55 0.00 0.00 176.35 175.25 2jqa s THR 101 N -0.04 0.11 -0.42 5.48 2.01 -1.26 -2.14 115.64 119.38 2jqa s THR 101 Ca 0.22 -0.88 0.05 0.00 0.31 0.00 0.00 61.69 61.39 2jqa s THR 101 Cb -0.15 -0.86 0.19 0.00 0.01 0.00 0.00 72.50 71.69 2jqa s THR 101 CO 0.09 -0.49 0.43 0.18 -0.69 0.00 0.00 174.62 174.15 2jqa n LEU 102 N 0.77 -0.71 -4.42 4.42 4.77 0.36 -4.84 117.00 117.35 2jqa n LEU 102 Ca -0.19 -4.27 -0.21 0.00 -0.03 0.00 0.00 56.01 51.31 2jqa n LEU 102 Cb 0.58 0.60 -0.10 0.00 -2.33 0.00 0.00 43.42 42.17 2jqa n LEU 102 CO 0.22 1.92 -0.38 -1.10 -1.33 0.00 0.00 177.39 176.71 2jqa s GLN 103 N -0.11 1.52 0.00 3.23 -1.52 -1.26 -2.17 119.66 119.36 2jqa s GLN 103 Ca 0.33 -1.75 0.13 0.00 -1.95 0.00 0.00 55.36 52.12 2jqa s GLN 103 Cb 0.07 -1.19 0.58 0.00 -0.22 0.00 0.00 33.01 32.25 2jqa s GLN 103 CO -0.17 0.08 1.41 -2.13 -0.25 0.00 0.00 175.29 174.24 2jqa n ARG 104 N -0.55 0.02 0.43 2.91 0.63 -1.26 -0.86 116.66 117.98 2jqa n ARG 104 Ca -0.06 0.26 -0.19 0.00 -0.92 0.00 0.00 57.85 56.94 2jqa n ARG 104 Cb 0.63 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.94 2jqa n ARG 104 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2jqa h ASP 105 N 0.00 -1.16 0.00 6.15 5.19 -1.96 -3.44 116.42 121.20 2jqa h ASP 105 Ca 0.00 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2jqa h ASP 105 Cb 0.21 0.33 0.00 0.00 0.18 0.00 0.00 39.33 40.06 2jqa h ASP 105 CO 0.00 -0.72 -0.00 0.61 -3.12 0.00 0.00 179.24 176.00 2jqa n GLY 106 N -1.60 0.98 0.32 2.75 0.00 -1.01 -4.07 105.19 102.55 2jqa n GLY 106 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2jqa n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jqa n ASP 107 N -0.06 0.00 -4.66 1.61 5.68 -0.04 -0.33 116.55 118.75 2jqa n ASP 107 Ca 0.00 -0.66 -0.30 0.00 -0.50 0.00 0.00 54.79 53.33 2jqa n ASP 107 Cb 0.00 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.15 2jqa n ASP 107 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 2jqa s HIS 108 N 0.00 1.81 0.05 2.11 -3.43 -0.15 -4.00 115.29 111.67 2jqa s HIS 108 Ca 0.00 1.60 0.07 0.00 -0.80 0.00 0.00 55.06 55.93 2jqa s HIS 108 Cb 0.00 -3.23 -0.03 0.00 -1.43 0.00 0.00 32.58 27.89 2jqa s HIS 108 CO 0.00 -2.77 -0.20 0.54 -2.00 0.00 0.00 174.74 170.30 2jqa s VAL 109 N -2.69 1.63 -0.04 -5.38 0.11 -1.25 -1.82 120.40 110.95 2jqa s VAL 109 Ca 0.66 -1.20 0.03 0.00 -2.93 0.00 0.00 61.98 58.54 2jqa s VAL 109 Cb -0.22 -1.42 -0.03 0.00 -1.53 0.00 0.00 36.38 33.18 2jqa s VAL 109 CO 0.59 0.18 -0.12 -0.04 -3.33 0.00 0.00 175.10 172.37 2jqa s MET 110 N -1.20 2.53 -0.77 1.54 -1.94 0.11 -1.50 119.30 118.06 2jqa s MET 110 Ca 0.07 -0.69 -0.09 0.00 -1.71 0.00 0.00 55.69 53.27 2jqa s MET 110 Cb -0.09 -2.42 0.20 0.00 2.01 0.00 0.00 34.83 34.54 2jqa s MET 110 CO 0.02 0.63 0.66 -0.51 -0.01 0.00 0.00 175.02 175.80 2jqa s LEU 111 N -0.85 6.14 0.09 -0.03 1.02 -0.18 -1.00 118.68 123.88 2jqa s LEU 111 Ca 0.12 -2.83 -0.23 0.00 0.02 0.00 0.00 54.13 51.21 2jqa s LEU 111 Cb -0.11 -2.07 -0.07 0.00 0.02 0.00 0.00 46.19 43.97 2jqa s LEU 111 CO 0.02 -0.47 0.69 -0.32 0.02 0.00 0.00 176.35 176.28 2jqa s MET 112 N -0.04 4.41 -0.55 1.70 1.75 -0.80 -2.95 119.30 122.82 2jqa s MET 112 Ca 0.18 0.96 -0.03 0.00 -1.25 0.00 0.00 55.69 55.56 2jqa s MET 112 Cb -0.14 -3.28 -0.03 0.00 2.84 0.00 0.00 34.83 34.22 2jqa s MET 112 CO -0.07 0.51 0.49 0.41 -0.65 0.00 0.00 175.02 175.72 2jqa n GLY 113 N 1.88 -0.41 0.35 2.11 0.00 0.18 -1.07 105.19 108.23 2jqa n GLY 113 Ca -0.07 0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.27 2jqa n GLY 113 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2jqa h LEU 114 N -0.39 0.41 0.00 0.99 8.10 -1.75 0.98 115.31 123.65 2jqa h LEU 114 Ca -0.26 0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.74 2jqa h LEU 114 Cb 1.13 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 41.27 2jqa h LEU 114 CO 0.23 0.25 0.00 0.29 -4.11 0.00 0.00 178.44 175.10 2jqa n LYS 115 N -4.47 0.00 -4.52 0.17 4.76 -1.26 -4.47 118.16 108.36 2jqa n LYS 115 Ca 0.10 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.21 2jqa n LYS 115 Cb 0.36 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.43 2jqa n LYS 115 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2jqa s ARG 116 N 0.00 3.52 0.62 1.97 3.52 -1.26 -5.08 118.95 122.23 2jqa s ARG 116 Ca 0.00 -0.56 -0.15 0.00 -0.13 0.00 0.00 55.73 54.88 2jqa s ARG 116 Cb 0.00 -2.81 -0.02 0.00 -1.56 0.00 0.00 34.95 30.55 2jqa s ARG 116 CO 0.00 0.28 1.07 -1.25 -0.81 0.00 0.00 175.30 174.59 2jqa s PRO 117 N 0.24 3.17 -0.20 5.12 0.04 -1.26 -5.08 135.00 137.04 2jqa s PRO 117 Ca -0.04 1.23 -0.15 0.00 0.04 0.00 0.00 61.00 62.08 2jqa s PRO 117 Cb -0.14 -2.01 0.06 0.00 0.04 0.00 0.00 34.50 32.44 2jqa s PRO 117 CO 0.04 -0.93 0.50 -0.48 0.04 0.00 0.00 177.00 176.16 2jqa s LEU 118 N -4.65 -0.12 0.22 -3.56 0.05 -1.26 -5.15 118.68 104.21 2jqa s LEU 118 Ca 0.64 1.05 0.05 0.00 0.05 0.00 0.00 54.13 55.92 2jqa s LEU 118 Cb -0.17 1.70 -0.03 0.00 -2.05 0.00 0.00 46.19 45.64 2jqa s LEU 118 CO 0.39 -0.19 0.25 -0.75 -0.55 0.00 0.00 176.35 175.50 2jqa s LYS 119 N 0.80 3.16 0.00 1.48 2.47 -1.26 -4.47 119.74 121.93 2jqa s LYS 119 Ca -0.04 -0.87 0.00 0.00 -1.56 0.00 0.00 55.97 53.50 2jqa s LYS 119 Cb -0.05 -2.74 0.00 0.00 -1.46 0.00 0.00 37.83 33.58 2jqa s LYS 119 CO -0.06 0.44 0.08 1.33 0.16 0.00 0.00 175.35 177.29 2jqa n VAL 120 N -1.04 0.00 -1.74 4.02 0.24 -1.26 -0.84 118.33 117.71 2jqa n VAL 120 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2jqa n VAL 120 Cb 0.57 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 2jqa n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jqa n GLY 121 N 0.06 -0.37 3.83 7.63 0.00 -1.23 -4.63 105.19 110.48 2jqa n GLY 121 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 3.07 0.27 1.61 2.12 -0.02 -4.93 118.70 120.81 2jqa s GLU 122 Ca 0.00 -0.70 -0.17 0.00 0.36 0.00 0.00 54.97 54.46 2jqa s GLU 122 Cb 0.00 -2.79 -0.09 0.00 0.26 0.00 0.00 34.13 31.52 2jqa s GLU 122 CO 0.00 0.54 0.72 0.99 -0.54 0.00 0.00 175.26 176.97 2jqa s THR 123 N -1.59 4.63 -0.03 -1.70 2.01 -1.26 -1.16 115.64 116.53 2jqa s THR 123 Ca 0.32 1.11 0.04 0.00 0.31 0.00 0.00 61.69 63.47 2jqa s THR 123 Cb -0.11 -3.74 -0.00 0.00 0.01 0.00 0.00 72.50 68.65 2jqa s THR 123 CO 0.24 0.03 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.36 2jqa s VAL 124 N -1.73 1.24 -0.95 3.82 1.01 0.57 -4.91 120.40 119.44 2jqa s VAL 124 Ca 0.48 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.60 2jqa s VAL 124 Cb -0.14 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.19 2jqa s VAL 124 CO 0.19 0.36 1.63 0.20 0.00 0.00 0.00 175.10 177.49 2jqa s ASN 125 N -0.00 5.97 0.12 3.32 0.02 -1.26 -1.38 114.94 121.72 2jqa s ASN 125 Ca -0.02 -1.08 -0.11 0.00 -1.02 0.00 0.00 52.86 50.63 2jqa s ASN 125 Cb -0.10 -2.56 -0.06 0.00 0.02 0.00 0.00 41.25 38.54 2jqa s ASN 125 CO 0.01 -1.99 0.47 -0.63 0.02 0.00 0.00 177.10 174.98 2jqa s ILE 126 N 6.95 5.00 0.31 0.60 -1.09 -0.57 -4.71 121.20 127.69 2jqa s ILE 126 Ca 0.55 0.57 0.09 0.00 -2.23 0.00 0.00 60.65 59.63 2jqa s ILE 126 Cb -0.03 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 2jqa s ILE 126 CO -0.05 0.23 0.07 0.42 -1.23 0.00 0.00 174.94 174.38 2jqa s THR 127 N -1.47 3.15 0.00 2.92 -4.23 -0.79 -0.01 115.64 115.21 2jqa s THR 127 Ca 0.36 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 2jqa s THR 127 Cb -0.14 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.79 2jqa s THR 127 CO 0.19 -0.26 0.00 0.18 -0.54 0.00 0.00 174.62 174.19 2jqa n LEU 128 N -1.03 0.00 -3.52 4.79 4.32 -1.20 -0.60 117.00 119.77 2jqa n LEU 128 Ca -0.05 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.77 2jqa n LEU 128 Cb 0.60 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.35 2jqa n LEU 128 CO 0.42 0.00 0.44 -0.75 -1.22 0.00 0.00 177.39 176.28 2jqa s LYS 129 N -1.30 1.07 0.15 3.23 2.20 -1.12 -1.67 119.74 122.29 2jqa s LYS 129 Ca 0.00 0.22 0.07 0.00 -0.36 0.00 0.00 55.97 55.90 2jqa s LYS 129 Cb 0.00 0.50 -0.04 0.00 -1.51 0.00 0.00 37.83 36.78 2jqa s LYS 129 CO 0.00 -0.34 -0.15 0.00 -0.36 0.00 0.00 175.35 174.50 2jqa s ALA 130 N -1.31 1.74 -0.54 3.13 0.00 -1.26 -0.17 121.76 123.35 2jqa s ALA 130 Ca -0.10 -1.43 0.25 0.00 0.00 0.00 0.00 51.96 50.67 2jqa s ALA 130 Cb -0.00 -0.10 0.58 0.00 0.00 0.00 0.00 23.12 23.60 2jqa s ALA 130 CO 0.09 0.12 1.69 0.00 0.00 0.00 0.00 175.76 177.66 2jqa h THR 131 N 3.22 0.00 -1.08 0.00 1.03 -1.95 -3.17 112.91 110.95 2jqa h THR 131 Ca -0.40 -0.76 -0.46 0.00 -0.01 0.00 0.00 66.41 64.78 2jqa h THR 131 Cb 1.20 1.75 -0.41 0.00 -1.07 0.00 0.00 68.15 69.62 2jqa h THR 131 CO 0.54 0.00 -0.96 0.47 -0.01 0.00 0.00 175.52 175.56 2jqa n ASP 132 N -2.75 3.21 0.00 0.00 8.00 -1.26 -5.04 116.55 118.72 2jqa n ASP 132 Ca 0.04 -3.15 0.00 0.00 0.71 0.00 0.00 54.79 52.39 2jqa n ASP 132 Cb 0.48 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 2jqa n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jqa n GLY 133 N -0.39 3.77 2.52 0.44 0.00 -1.20 -5.14 105.19 105.19 2jqa n GLY 133 Ca 0.25 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 0.88 0.00 1.61 3.00 -1.26 -4.81 116.66 116.08 2jqa n ARG 134 Ca 0.00 -2.43 0.00 0.00 -0.00 0.00 0.00 57.85 55.42 2jqa n ARG 134 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 32.46 31.13 2jqa n ARG 134 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2jqa n THR 135 N 0.90 0.00 0.00 5.15 -1.04 -1.26 -4.98 114.28 113.05 2jqa n THR 135 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2jqa n THR 135 Cb 0.64 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 2jqa n THR 135 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2jqa n LEU 136 N 0.00 0.00 -3.79 -4.42 7.94 -0.67 -4.05 117.00 112.01 2jqa n LEU 136 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 2jqa n LEU 136 Cb 0.00 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.81 2jqa n LEU 136 CO 0.00 0.00 -0.24 0.54 -1.11 0.00 0.00 177.39 176.58 2jqa s ASN 137 N 0.00 -0.10 -0.03 1.96 2.20 -1.26 -3.24 114.94 114.46 2jqa s ASN 137 Ca 0.00 0.25 -0.17 0.00 -0.94 0.00 0.00 52.86 52.01 2jqa s ASN 137 Cb 0.00 0.19 0.03 0.00 -2.00 0.00 0.00 41.25 39.47 2jqa s ASN 137 CO 0.00 -0.10 0.37 -0.69 -2.94 0.00 0.00 177.10 173.74 2jqa s VAL 138 N 0.66 0.04 -0.27 3.54 1.01 0.98 -4.96 120.40 121.40 2jqa s VAL 138 Ca -0.05 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 2jqa s VAL 138 Cb -0.07 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.67 2jqa s VAL 138 CO -0.03 -0.20 1.06 0.00 0.00 0.00 0.00 175.10 175.94 2jqa s ALA 139 N -1.13 3.59 0.44 5.51 0.00 -1.26 -1.51 121.76 127.41 2jqa s ALA 139 Ca -0.12 0.07 0.06 0.00 0.00 0.00 0.00 51.96 51.98 2jqa s ALA 139 Cb -0.04 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 2jqa s ALA 139 CO 0.05 -1.27 0.18 0.00 0.00 0.00 0.00 175.76 174.72 2jqa s ALA 140 N 3.43 3.74 0.10 0.00 0.00 -0.48 -4.81 121.76 123.73 2jqa s ALA 140 Ca 0.45 -1.80 0.09 0.00 0.00 0.00 0.00 51.96 50.69 2jqa s ALA 140 Cb -0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 2jqa s ALA 140 CO 0.11 -0.19 -0.23 0.99 0.00 0.00 0.00 175.76 176.45 2jqa s THR 141 N -2.66 1.86 -0.11 0.00 2.01 0.32 -0.32 115.64 116.73 2jqa s THR 141 Ca 0.35 -1.53 -0.01 0.00 0.31 0.00 0.00 61.69 60.82 2jqa s THR 141 Cb 0.03 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 2jqa s THR 141 CO 0.20 0.05 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.40 2jqa s VAL 142 N -1.05 3.56 -0.16 3.82 1.01 -0.31 -0.57 120.40 126.70 2jqa s VAL 142 Ca 0.09 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 2jqa s VAL 142 Cb -0.10 -2.50 0.05 0.00 0.00 0.00 0.00 36.38 33.83 2jqa s VAL 142 CO 0.04 0.54 0.40 -0.54 0.00 0.00 0.00 175.10 175.54 2jqa s LYS 143 N -0.10 0.43 0.08 2.72 1.02 -0.89 -3.51 119.74 119.49 2jqa s LYS 143 Ca 0.01 0.65 -0.31 0.00 0.02 0.00 0.00 55.97 56.34 2jqa s LYS 143 Cb -0.13 0.11 -0.08 0.00 -0.52 0.00 0.00 37.83 37.21 2jqa s LYS 143 CO 0.03 -0.10 1.59 -1.59 -0.92 0.00 0.00 175.35 174.36 2jqa s LYS 144 N 0.74 4.22 -0.40 1.68 -2.85 -1.26 -3.85 119.74 118.01 2jqa s LYS 144 Ca -0.04 2.27 -0.01 0.00 -1.00 0.00 0.00 55.97 57.20 2jqa s LYS 144 Cb -0.05 -3.51 0.23 0.00 -2.06 0.00 0.00 37.83 32.44 2jqa s LYS 144 CO -0.05 -0.68 1.02 -1.71 0.10 0.00 0.00 175.35 174.03 2jqa n ASN 145 N 5.22 -2.11 0.00 0.03 5.15 -1.26 -4.95 115.26 117.34 2jqa n ASN 145 Ca 0.15 -1.99 0.00 0.00 -0.60 0.00 0.00 54.58 52.14 2jqa n ASN 145 Cb 0.41 1.14 0.00 0.00 -0.53 0.00 0.00 39.78 40.80 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 2.25 0.00 0.00 -1.44 3.06 -1.26 -4.93 119.36 117.03 2jqa n ILE 146 Ca 0.10 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.35 2jqa n ILE 146 Cb 0.64 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.82 2jqa n ILE 146 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 2jqa n GLU 147 N 0.00 0.00 0.00 9.51 0.00 -1.26 -5.13 120.64 123.76 2jqa n GLU 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2jqa n GLU 147 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2jqa n GLU 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jqa n GLY 148 N 0.00 1.79 1.32 8.31 0.00 -1.26 -4.88 105.19 110.47 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