#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 -0.23 3.40 3.03 0.00 -1.26 -5.21 105.19 104.93 2jqa n GLY 2 Ca 0.00 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.00 -0.48 0.01 1.61 0.00 -1.26 -5.19 115.29 107.98 2jqa s HIS 3 Ca 0.00 0.31 -0.15 0.00 -3.00 0.00 0.00 55.06 52.22 2jqa s HIS 3 Cb 0.00 0.48 0.02 0.00 -4.00 0.00 0.00 32.58 29.08 2jqa s HIS 3 CO 0.00 -0.79 0.31 -0.08 -1.00 0.00 0.00 174.74 173.18 2jqa s THR 4 N -3.50 0.07 -0.08 -5.38 -1.32 -1.26 -5.18 115.64 98.98 2jqa s THR 4 Ca 0.00 -0.54 0.01 0.00 -1.21 0.00 0.00 61.69 59.94 2jqa s THR 4 Cb -0.00 -0.73 0.02 0.00 -1.51 0.00 0.00 72.50 70.28 2jqa s THR 4 CO -0.11 -0.30 -0.08 -0.04 -2.21 0.00 0.00 174.62 171.89 2jqa s MET 5 N -1.75 1.34 0.13 7.08 1.00 -1.26 -5.14 119.30 120.69 2jqa s MET 5 Ca -0.11 -0.24 -0.30 0.00 0.00 0.00 0.00 55.69 55.05 2jqa s MET 5 Cb -0.04 -1.30 -0.06 0.00 0.00 0.00 0.00 34.83 33.43 2jqa s MET 5 CO 0.02 -0.13 0.95 -1.25 0.00 0.00 0.00 175.02 174.60 2jqa s PRO 6 N 1.22 4.72 -0.20 2.03 0.04 -1.26 -5.06 135.00 136.49 2jqa s PRO 6 Ca -0.05 1.45 -0.13 0.00 0.04 0.00 0.00 61.00 62.31 2jqa s PRO 6 Cb -0.14 -3.36 0.06 0.00 0.04 0.00 0.00 34.50 31.10 2jqa s PRO 6 CO -0.02 0.27 0.50 0.00 0.04 0.00 0.00 177.00 177.79 2jqa s ALA 7 N -0.20 -1.30 -0.03 8.56 0.00 -1.26 -5.17 121.76 122.36 2jqa s ALA 7 Ca 0.46 1.72 -0.30 0.00 0.00 0.00 0.00 51.96 53.84 2jqa s ALA 7 Cb -0.24 -1.03 0.07 0.00 0.00 0.00 0.00 23.12 21.92 2jqa s ALA 7 CO 0.30 -0.29 0.66 -1.58 0.00 0.00 0.00 175.76 174.85 2jqa s HIS 8 N 1.18 -0.63 -0.18 0.00 5.04 -1.26 -5.19 115.29 114.25 2jqa s HIS 8 Ca -0.07 1.04 -0.23 0.00 -1.54 0.00 0.00 55.06 54.26 2jqa s HIS 8 Cb -0.06 0.41 0.06 0.00 0.04 0.00 0.00 32.58 33.02 2jqa s HIS 8 CO -0.11 -0.62 0.60 -0.08 -2.34 0.00 0.00 174.74 172.19 2jqa s THR 9 N -1.38 0.00 0.74 0.89 -1.32 -1.26 -5.18 115.64 108.14 2jqa s THR 9 Ca -0.10 -0.04 -0.11 0.00 -1.21 0.00 0.00 61.69 60.23 2jqa s THR 9 Cb -0.00 -0.86 0.03 0.00 -1.51 0.00 0.00 72.50 70.16 2jqa s THR 9 CO 0.08 -0.02 1.07 -2.16 -2.21 0.00 0.00 174.62 171.39 2jqa s PRO 10 N -0.09 2.56 0.88 7.08 0.04 -1.26 -5.08 135.00 139.13 2jqa s PRO 10 Ca -0.03 0.91 -0.13 0.00 0.04 0.00 0.00 61.00 61.78 2jqa s PRO 10 Cb -0.04 -1.95 0.13 0.00 0.04 0.00 0.00 34.50 32.68 2jqa s PRO 10 CO 0.03 -1.35 1.21 -1.25 0.04 0.00 0.00 177.00 175.68 2jqa s PRO 11 N -5.05 1.35 0.24 0.56 0.04 -1.26 -5.12 135.00 125.77 2jqa s PRO 11 Ca 0.59 -0.02 -0.20 0.00 0.04 0.00 0.00 61.00 61.41 2jqa s PRO 11 Cb -0.15 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.53 2jqa s PRO 11 CO 0.55 -1.99 0.64 0.00 0.04 0.00 0.00 177.00 176.24 2jqa s ALA 12 N -3.61 -1.17 0.04 8.56 0.00 -1.26 -5.18 121.76 119.14 2jqa s ALA 12 Ca 0.66 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.48 2jqa s ALA 12 Cb -0.09 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 2jqa s ALA 12 CO 0.51 -0.93 -0.13 -0.65 0.00 0.00 0.00 175.76 174.56 2jqa s GLN 13 N -3.89 0.85 -0.13 0.00 1.11 -1.26 -5.16 119.66 111.19 2jqa s GLN 13 Ca 0.10 -0.73 -0.34 0.00 0.01 0.00 0.00 55.36 54.40 2jqa s GLN 13 Cb -0.04 -0.82 0.14 0.00 -1.01 0.00 0.00 33.01 31.28 2jqa s GLN 13 CO 0.02 0.20 1.32 -0.08 0.01 0.00 0.00 175.29 176.76 2jqa s THR 14 N -0.88 0.00 -0.47 -0.19 -1.32 -1.26 -5.13 115.64 106.38 2jqa s THR 14 Ca 0.00 -0.08 0.06 0.00 -1.21 0.00 0.00 61.69 60.46 2jqa s THR 14 Cb -0.08 -1.58 0.25 0.00 -1.51 0.00 0.00 72.50 69.58 2jqa s THR 14 CO 0.01 0.00 0.86 0.00 -2.21 0.00 0.00 174.62 173.28 2jqa n ALA 15 N -0.31 -0.75 -1.80 11.08 0.00 -1.26 -5.16 120.51 122.31 2jqa n ALA 15 Ca -0.04 -1.73 -0.34 0.00 0.00 0.00 0.00 53.44 51.33 2jqa n ALA 15 Cb 0.61 -1.24 -0.05 0.00 0.00 0.00 0.00 19.45 18.77 2jqa n ALA 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jqa s PRO 16 N 0.33 4.08 -0.07 0.00 0.04 -1.26 -5.08 135.00 133.04 2jqa s PRO 16 Ca 0.32 1.27 -0.04 0.00 0.04 0.00 0.00 61.00 62.59 2jqa s PRO 16 Cb 0.23 -2.23 0.03 0.00 0.04 0.00 0.00 34.50 32.57 2jqa s PRO 16 CO -0.21 -0.18 0.17 0.00 0.04 0.00 0.00 177.00 176.83 2jqa s ALA 17 N -2.00 -0.37 -0.46 8.56 0.00 -1.26 -5.10 121.76 121.13 2jqa s ALA 17 Ca 0.63 0.69 0.04 0.00 0.00 0.00 0.00 51.96 53.32 2jqa s ALA 17 Cb -0.14 -0.44 0.25 0.00 0.00 0.00 0.00 23.12 22.79 2jqa s ALA 17 CO 0.18 -0.14 0.96 0.00 0.00 0.00 0.00 175.76 176.76 2jqa n ALA 18 N 3.86 -1.83 -2.63 0.00 0.00 -1.26 -5.10 120.51 113.54 2jqa n ALA 18 Ca -0.22 -1.19 -0.38 0.00 0.00 0.00 0.00 53.44 51.64 2jqa n ALA 18 Cb 0.54 -1.71 -0.09 0.00 0.00 0.00 0.00 19.45 18.20 2jqa n ALA 18 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2jqa s GLN 19 N 0.58 4.08 -0.24 0.00 -0.21 -1.26 -5.07 119.66 117.54 2jqa s GLN 19 Ca 0.31 0.05 -0.26 0.00 0.02 0.00 0.00 55.36 55.48 2jqa s GLN 19 Cb 0.23 -3.60 0.09 0.00 1.00 0.00 0.00 33.01 30.72 2jqa s GLN 19 CO -0.22 -0.15 0.82 0.21 -2.12 0.00 0.00 175.29 173.83 2jqa s LYS 20 N 1.68 0.75 -0.20 2.91 2.20 -1.26 -5.13 119.74 120.70 2jqa s LYS 20 Ca 0.15 0.76 -0.03 0.00 -0.36 0.00 0.00 55.97 56.50 2jqa s LYS 20 Cb -0.15 0.37 -0.11 0.00 -1.51 0.00 0.00 37.83 36.42 2jqa s LYS 20 CO 0.09 -0.12 -0.20 0.00 -0.36 0.00 0.00 175.35 174.75 2jqa n ALA 21 N 2.26 1.62 0.00 3.13 0.00 -1.26 -5.13 120.51 121.13 2jqa n ALA 21 Ca -0.14 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.49 2jqa n ALA 21 Cb 0.56 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.13 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 2.28 -1.91 3.48 0.00 0.00 -1.26 -5.06 105.19 102.72 2jqa n GLY 22 Ca -0.36 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.11 2jqa n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqa s ALA 23 N -1.06 -1.74 0.06 4.61 0.00 -1.26 -5.19 121.76 117.19 2jqa s ALA 23 Ca 0.00 0.93 0.08 0.00 0.00 0.00 0.00 51.96 52.97 2jqa s ALA 23 Cb 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 2jqa s ALA 23 CO 0.00 -0.62 -0.19 -0.65 0.00 0.00 0.00 175.76 174.29 2jqa s GLN 24 N -2.81 1.94 0.00 0.00 -0.21 -1.26 -4.95 119.66 112.37 2jqa s GLN 24 Ca -0.00 -1.06 0.00 0.00 0.02 0.00 0.00 55.36 54.32 2jqa s GLN 24 Cb -0.01 -2.13 0.00 0.00 1.00 0.00 0.00 33.01 31.87 2jqa s GLN 24 CO -0.06 0.52 0.00 0.00 -2.12 0.00 0.00 175.29 173.63 2jqa n ALA 25 N 1.36 -2.14 -3.43 6.09 0.00 -1.26 -5.09 120.51 116.04 2jqa n ALA 25 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.02 2jqa n ALA 25 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.89 2jqa n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jqa n LEU 26 N 0.00 2.27 -0.94 0.00 4.32 -1.26 -4.98 117.00 116.42 2jqa n LEU 26 Ca 0.00 -5.10 0.00 0.00 -0.02 0.00 0.00 56.01 50.89 2jqa n LEU 26 Cb 0.00 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 41.59 2jqa n LEU 26 CO 0.00 2.00 0.44 -0.81 -1.22 0.00 0.00 177.39 177.80 2jqa n PRO 27 N 1.35 0.95 -3.57 3.23 -0.04 -1.26 -4.80 135.00 130.86 2jqa n PRO 27 Ca 0.26 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.59 2jqa n PRO 27 Cb 0.44 -1.08 -0.06 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.09 0.00 -0.14 0.52 0.11 -1.26 -4.98 120.40 114.56 2jqa s VAL 28 Ca 0.00 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 2jqa s VAL 28 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2jqa s VAL 28 CO 0.00 0.00 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.79 2jqa s THR 29 N -0.77 3.42 -0.34 5.04 2.01 -1.26 -5.04 115.64 118.70 2jqa s THR 29 Ca -0.04 -0.53 0.16 0.00 0.31 0.00 0.00 61.69 61.60 2jqa s THR 29 Cb -0.01 -2.47 0.43 0.00 0.01 0.00 0.00 72.50 70.45 2jqa s THR 29 CO 0.03 0.51 0.89 1.33 -0.69 0.00 0.00 174.62 176.69 2jqa n VAL 30 N 3.56 0.70 0.00 3.82 0.24 -1.26 -2.27 118.33 123.13 2jqa n VAL 30 Ca -0.18 -3.51 0.00 0.00 -2.04 0.00 0.00 64.34 58.61 2jqa n VAL 30 Cb 0.53 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 2jqa n VAL 30 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jqa n GLN 31 N 0.03 0.00 -0.27 7.34 0.00 -0.91 -4.61 117.38 118.96 2jqa n GLN 31 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 57.00 57.17 2jqa n GLN 31 Cb 0.77 0.00 0.04 0.00 0.00 0.00 0.00 30.24 31.05 2jqa n GLN 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jqa n GLY 32 N 0.00 1.45 3.75 2.61 0.00 -1.26 -5.02 105.19 106.72 2jqa n GLY 32 Ca 0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.45 -2.40 -2.64 4.61 0.00 -1.26 -2.97 120.51 115.40 2jqa n ALA 33 Ca 0.05 -0.25 -0.39 0.00 0.00 0.00 0.00 53.44 52.85 2jqa n ALA 33 Cb 0.62 -3.38 -0.08 0.00 0.00 0.00 0.00 19.45 16.60 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 -3.59 5.18 0.21 0.00 2.01 -1.00 -1.92 115.64 116.54 2jqa s THR 34 Ca 0.34 0.64 -0.12 0.00 0.31 0.00 0.00 61.69 62.86 2jqa s THR 34 Cb -0.12 -3.71 -0.07 0.00 0.01 0.00 0.00 72.50 68.60 2jqa s THR 34 CO 0.87 0.20 0.57 -0.69 -0.69 0.00 0.00 174.62 174.88 2jqa s VAL 35 N 1.74 4.87 -0.17 3.82 1.01 0.77 -0.50 120.40 131.93 2jqa s VAL 35 Ca 0.17 0.67 -0.29 0.00 0.00 0.00 0.00 61.98 62.52 2jqa s VAL 35 Cb -0.15 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 2jqa s VAL 35 CO 0.09 0.03 1.24 0.00 0.00 0.00 0.00 175.10 176.46 2jqa s ALA 36 N -1.71 3.66 0.63 5.51 0.00 -0.16 -0.74 121.76 128.94 2jqa s ALA 36 Ca 0.45 0.44 -0.18 0.00 0.00 0.00 0.00 51.96 52.66 2jqa s ALA 36 Cb -0.12 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 2jqa s ALA 36 CO 0.20 -1.14 1.18 0.00 0.00 0.00 0.00 175.76 175.99 2jqa n ALA 37 N 6.51 0.81 -3.61 0.00 0.00 -1.26 -4.66 120.51 118.30 2jqa n ALA 37 Ca 0.14 0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.45 2jqa n ALA 37 Cb 0.45 -2.25 -0.07 0.00 0.00 0.00 0.00 19.45 17.58 2jqa n ALA 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jqa s VAL 38 N -1.43 0.00 0.61 0.00 0.11 -1.26 -4.67 120.40 113.76 2jqa s VAL 38 Ca 0.80 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.69 2jqa s VAL 38 Cb -0.39 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.43 2jqa s VAL 38 CO 0.43 0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 171.13 2jqa s PRO 39 N -0.05 3.12 0.30 1.54 0.04 -1.26 -4.73 135.00 133.95 2jqa s PRO 39 Ca -0.01 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.10 2jqa s PRO 39 Cb -0.04 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 2jqa s PRO 39 CO -0.00 -0.99 1.40 -1.25 0.04 0.00 0.00 177.00 176.20 2jqa s PRO 40 N -3.91 4.27 0.00 0.56 0.04 -1.26 -2.65 135.00 132.05 2jqa s PRO 40 Ca 0.67 2.32 0.00 0.00 0.04 0.00 0.00 61.00 64.03 2jqa s PRO 40 Cb -0.19 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2jqa s PRO 40 CO 0.36 -0.36 0.00 0.45 0.04 0.00 0.00 177.00 177.49 2jqa n SER 41 N 1.44 0.00 -4.72 6.66 2.88 -1.26 -5.08 113.62 113.55 2jqa n SER 41 Ca 0.03 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.17 2jqa n SER 41 Cb 0.41 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.82 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 -0.62 5.02 -0.11 2.46 -1.09 -1.08 -4.97 121.20 120.80 2jqa s ILE 42 Ca 0.00 1.54 0.15 0.00 -2.23 0.00 0.00 60.65 60.11 2jqa s ILE 42 Cb 0.00 -4.08 0.35 0.00 -1.58 0.00 0.00 42.46 37.14 2jqa s ILE 42 CO 0.00 0.24 1.17 -2.11 -1.23 0.00 0.00 174.94 173.00 2jqa n ARG 43 N 3.80 0.92 -4.04 2.79 -4.01 -1.26 -4.88 116.66 109.98 2jqa n ARG 43 Ca -0.00 -2.54 -0.16 0.00 -1.04 0.00 0.00 57.85 54.11 2jqa n ARG 43 Cb 0.51 -1.04 -0.15 0.00 -3.04 0.00 0.00 32.46 28.74 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 -2.57 0.48 0.14 2.89 1.01 -1.26 -0.54 116.67 116.81 2jqa s ASP 44 Ca 0.31 -0.06 -0.12 0.00 0.71 0.00 0.00 52.55 53.39 2jqa s ASP 44 Cb 0.31 -0.15 0.01 0.00 1.01 0.00 0.00 42.92 44.11 2jqa s ASP 44 CO -0.07 -0.01 0.32 0.28 0.21 0.00 0.00 175.17 175.90 2jqa s THR 45 N 0.38 0.08 -0.04 -1.27 -1.32 -0.75 -4.99 115.64 107.73 2jqa s THR 45 Ca -0.04 -1.03 -0.22 0.00 -1.21 0.00 0.00 61.69 59.20 2jqa s THR 45 Cb -0.07 -1.48 -0.05 0.00 -1.51 0.00 0.00 72.50 69.39 2jqa s THR 45 CO -0.01 -0.38 0.63 0.00 -2.21 0.00 0.00 174.62 172.65 2jqa s ALA 46 N -3.88 3.42 -0.13 11.08 0.00 -1.26 -1.00 121.76 129.99 2jqa s ALA 46 Ca 0.09 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2jqa s ALA 46 Cb 0.03 -2.82 0.02 0.00 0.00 0.00 0.00 23.12 20.35 2jqa s ALA 46 CO -0.07 0.05 -0.12 0.00 0.00 0.00 0.00 175.76 175.62 2jqa s ALA 47 N 0.25 1.67 -0.21 0.00 0.00 -0.92 -0.99 121.76 121.56 2jqa s ALA 47 Ca 0.33 -0.77 -0.10 0.00 0.00 0.00 0.00 51.96 51.43 2jqa s ALA 47 Cb -0.18 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.92 2jqa s ALA 47 CO 0.17 -0.35 0.12 0.71 0.00 0.00 0.00 175.76 176.41 2jqa s TYR 48 N 1.48 3.36 -0.14 0.00 1.51 0.34 -3.92 117.35 119.99 2jqa s TYR 48 Ca 0.03 0.25 -0.04 0.00 -1.01 0.00 0.00 57.07 56.31 2jqa s TYR 48 Cb -0.13 -2.17 0.06 0.00 -0.11 0.00 0.00 41.96 39.61 2jqa s TYR 48 CO -0.09 0.21 0.15 -1.64 -1.11 0.00 0.00 175.55 173.07 2jqa s MET 49 N 0.52 0.07 0.11 -0.62 -1.94 -0.92 -2.37 119.30 114.15 2jqa s MET 49 Ca 0.07 0.26 0.10 0.00 -1.71 0.00 0.00 55.69 54.41 2jqa s MET 49 Cb -0.12 -1.00 -0.04 0.00 2.01 0.00 0.00 34.83 35.68 2jqa s MET 49 CO -0.00 -0.51 -0.24 -0.08 -0.01 0.00 0.00 175.02 174.18 2jqa s THR 50 N 2.25 2.45 0.44 2.05 -1.32 -1.26 -1.13 115.64 119.12 2jqa s THR 50 Ca 0.04 -1.58 0.06 0.00 -1.21 0.00 0.00 61.69 59.00 2jqa s THR 50 Cb -0.14 -2.07 -0.04 0.00 -1.51 0.00 0.00 72.50 68.73 2jqa s THR 50 CO -0.08 0.16 0.14 -0.76 -2.21 0.00 0.00 174.62 171.87 2jqa s LEU 51 N -1.90 2.88 0.07 9.08 2.01 -1.16 -2.14 118.68 127.52 2jqa s LEU 51 Ca 0.15 -1.26 -0.12 0.00 0.01 0.00 0.00 54.13 52.91 2jqa s LEU 51 Cb -0.10 -1.17 0.01 0.00 0.01 0.00 0.00 46.19 44.94 2jqa s LEU 51 CO 0.06 -0.64 0.28 0.28 1.01 0.00 0.00 176.35 177.34 2jqa s THR 52 N -2.69 0.10 -0.22 5.49 -1.32 -0.96 -4.85 115.64 111.19 2jqa s THR 52 Ca 0.33 -0.83 -0.19 0.00 -1.21 0.00 0.00 61.69 59.79 2jqa s THR 52 Cb 0.04 -1.10 0.06 0.00 -1.51 0.00 0.00 72.50 69.99 2jqa s THR 52 CO 0.18 -0.46 0.57 0.54 -2.21 0.00 0.00 174.62 173.24 2jqa s ASN 53 N -2.43 -0.61 -0.03 8.08 4.22 -1.26 -4.39 114.94 118.52 2jqa s ASN 53 Ca -0.01 1.16 0.21 0.00 -2.14 0.00 0.00 52.86 52.08 2jqa s ASN 53 Cb 0.01 1.16 0.36 0.00 1.28 0.00 0.00 41.25 44.07 2jqa s ASN 53 CO -0.07 -0.20 1.14 1.17 -2.04 0.00 0.00 177.10 177.10 2jqa n LYS 54 N 2.90 0.20 -3.56 3.55 4.81 -1.26 -4.96 118.16 119.83 2jqa n LYS 54 Ca -0.14 -1.95 -0.13 0.00 -0.87 0.00 0.00 58.31 55.22 2jqa n LYS 54 Cb 0.56 -0.05 -0.06 0.00 0.02 0.00 0.00 35.03 35.50 2jqa n LYS 54 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2jqa s SER 55 N -1.97 -0.51 0.00 3.14 0.15 -1.26 -5.08 113.70 108.17 2jqa s SER 55 Ca 0.27 0.62 -0.04 0.00 0.70 0.00 0.00 55.95 57.49 2jqa s SER 55 Cb 0.32 0.51 -0.20 0.00 -1.71 0.00 0.00 66.02 64.93 2jqa s SER 55 CO -0.13 -0.42 2.94 0.47 1.20 0.00 0.00 173.24 177.30 2jqa n ASP 56 N 1.03 4.40 -3.65 5.45 9.92 -1.26 -4.78 116.55 127.67 2jqa n ASP 56 Ca -0.14 -2.30 -0.25 0.00 -0.53 0.00 0.00 54.79 51.57 2jqa n ASP 56 Cb 0.57 -1.16 -0.17 0.00 -0.64 0.00 0.00 41.12 39.72 2jqa n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jqa s GLN 57 N 1.20 0.16 0.49 -1.24 -2.07 -1.26 -5.12 119.66 111.81 2jqa s GLN 57 Ca 0.49 -0.05 -0.03 0.00 -1.82 0.00 0.00 55.36 53.96 2jqa s GLN 57 Cb 0.23 -1.61 -0.01 0.00 -1.09 0.00 0.00 33.01 30.53 2jqa s GLN 57 CO 0.00 -0.59 0.75 -1.25 -1.32 0.00 0.00 175.29 172.88 2jqa s PRO 58 N 2.09 3.16 -0.57 9.60 0.04 -1.26 -5.01 135.00 143.05 2jqa s PRO 58 Ca 0.02 -0.20 0.06 0.00 0.04 0.00 0.00 61.00 60.93 2jqa s PRO 58 Cb -0.15 -2.45 0.31 0.00 0.04 0.00 0.00 34.50 32.25 2jqa s PRO 58 CO -0.08 -0.34 0.86 -0.89 0.04 0.00 0.00 177.00 176.59 2jqa n ILE 59 N -2.23 2.45 -1.98 0.56 2.08 -1.21 -5.01 119.36 114.02 2jqa n ILE 59 Ca 0.01 -5.34 -0.43 0.00 0.56 0.00 0.00 62.75 57.56 2jqa n ILE 59 Cb 0.57 -1.53 -0.03 0.00 -0.75 0.00 0.00 39.64 37.90 2jqa n ILE 59 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 2jqa s LYS 60 N -3.01 3.63 -0.29 0.38 -2.85 -1.20 -3.60 119.74 112.80 2jqa s LYS 60 Ca 0.45 1.74 -0.17 0.00 -1.00 0.00 0.00 55.97 56.99 2jqa s LYS 60 Cb 0.24 -4.13 0.15 0.00 -2.06 0.00 0.00 37.83 32.04 2jqa s LYS 60 CO -0.10 -1.50 1.02 -0.51 0.10 0.00 0.00 175.35 174.36 2jqa s LEU 61 N 5.93 -0.44 -1.13 2.77 1.43 -1.26 -4.73 118.68 121.26 2jqa s LEU 61 Ca 0.79 0.72 -0.07 0.00 -1.03 0.00 0.00 54.13 54.54 2jqa s LEU 61 Cb -0.27 1.67 0.00 0.00 0.03 0.00 0.00 46.19 47.62 2jqa s LEU 61 CO 0.32 -0.12 2.77 1.33 0.23 0.00 0.00 176.35 180.88 2jqa n VAL 62 N 3.46 4.41 0.00 -1.59 0.24 0.78 -0.44 118.33 125.19 2jqa n VAL 62 Ca -0.18 -3.26 0.00 0.00 -2.04 0.00 0.00 64.34 58.86 2jqa n VAL 62 Cb 0.57 -2.16 0.00 0.00 -1.47 0.00 0.00 33.84 30.79 2jqa n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jqa n GLY 63 N 2.24 3.54 3.11 7.63 0.00 -1.26 -4.74 105.19 115.71 2jqa n GLY 63 Ca 0.63 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.87 -0.09 0.00 4.61 0.00 -1.26 -4.11 121.76 119.03 2jqa s ALA 64 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2jqa s ALA 64 Cb 0.00 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.36 2jqa s ALA 64 CO 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 175.76 175.45 2jqa n ALA 65 N 0.83 0.00 0.00 0.00 0.00 0.25 -4.93 120.51 116.66 2jqa n ALA 65 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2jqa n ALA 65 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2jqa n ALA 65 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2jqa n THR 66 N 0.00 0.00 2.00 0.00 5.66 -1.26 -0.83 114.28 119.85 2jqa n THR 66 Ca 0.00 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.07 2jqa n THR 66 Cb 0.00 0.00 0.43 0.00 -1.55 0.00 0.00 70.33 69.21 2jqa n THR 66 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2jqa n PRO 67 N -0.31 1.00 0.23 1.09 -0.04 -1.26 -3.31 135.00 132.40 2jqa n PRO 67 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 2jqa n PRO 67 Cb 0.00 -1.23 0.56 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.00 0.00 -9.63 1.53 -0.00 -1.95 -3.44 115.31 101.82 2jqa h LEU 68 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 57.88 57.27 2jqa h LEU 68 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 40.57 2jqa h LEU 68 CO 0.00 0.18 -0.61 0.00 -0.00 0.00 0.00 178.44 178.01 2jqa s ALA 69 N -4.48 3.45 0.03 1.53 0.00 -1.21 -4.13 121.76 116.95 2jqa s ALA 69 Ca -0.04 -1.18 -0.20 0.00 0.00 0.00 0.00 51.96 50.55 2jqa s ALA 69 Cb 0.15 -1.28 -0.15 0.00 0.00 0.00 0.00 23.12 21.83 2jqa s ALA 69 CO 0.67 0.59 1.30 1.15 0.00 0.00 0.00 175.76 179.47 2jqa h THR 70 N 2.40 1.37 -3.65 0.00 2.02 -0.79 -3.38 112.91 110.87 2jqa h THR 70 Ca -0.47 -1.45 -0.65 0.00 0.77 0.00 0.00 66.41 64.61 2jqa h THR 70 Cb 1.19 1.99 -0.40 0.00 -1.74 0.00 0.00 68.15 69.19 2jqa h THR 70 CO 0.62 0.42 -0.73 -0.44 0.37 0.00 0.00 175.52 175.76 2jqa s SER 71 N -6.24 4.64 -0.32 4.18 0.01 -0.58 -5.04 113.70 110.34 2jqa s SER 71 Ca -0.14 -2.01 -0.28 0.00 1.31 0.00 0.00 55.95 54.83 2jqa s SER 71 Cb 0.05 -1.53 -0.03 0.00 0.21 0.00 0.00 66.02 64.72 2jqa s SER 71 CO 0.77 -0.36 1.99 -2.16 0.41 0.00 0.00 173.24 173.88 2jqa s PRO 72 N 1.01 3.14 -0.22 12.44 0.04 -1.26 -1.59 135.00 148.55 2jqa s PRO 72 Ca 0.09 1.58 -0.07 0.00 0.04 0.00 0.00 61.00 62.64 2jqa s PRO 72 Cb -0.19 -4.30 -0.03 0.00 0.04 0.00 0.00 34.50 30.03 2jqa s PRO 72 CO -0.09 -2.09 0.05 1.41 0.04 0.00 0.00 177.00 176.31 2jqa s MET 73 N 6.16 3.69 -0.12 4.56 1.75 -0.27 -4.96 119.30 130.11 2jqa s MET 73 Ca 0.87 -0.47 0.01 0.00 -1.25 0.00 0.00 55.69 54.86 2jqa s MET 73 Cb -0.25 -3.24 -0.01 0.00 2.84 0.00 0.00 34.83 34.18 2jqa s MET 73 CO 0.33 -0.06 -0.17 -0.51 -0.65 0.00 0.00 175.02 173.96 2jqa s LEU 74 N 1.25 2.48 0.10 4.11 1.02 -1.26 -0.67 118.68 125.70 2jqa s LEU 74 Ca 0.04 -0.42 -0.16 0.00 0.02 0.00 0.00 54.13 53.62 2jqa s LEU 74 Cb -0.15 -1.54 0.03 0.00 0.02 0.00 0.00 46.19 44.56 2jqa s LEU 74 CO 0.03 0.16 0.38 0.00 0.02 0.00 0.00 176.35 176.94 2jqa s MET 75 N 0.36 0.99 0.14 1.70 0.23 -1.14 -3.67 119.30 117.91 2jqa s MET 75 Ca -0.14 -0.63 0.01 0.00 -1.03 0.00 0.00 55.69 53.90 2jqa s MET 75 Cb -0.17 0.43 -0.04 0.00 -1.53 0.00 0.00 34.83 33.52 2jqa s MET 75 CO 0.07 -0.37 0.01 -0.08 -2.03 0.00 0.00 175.02 172.62 2jqa s THR 76 N -3.38 0.48 -0.04 3.16 -1.32 -0.52 -1.54 115.64 112.47 2jqa s THR 76 Ca 0.00 -1.94 -0.02 0.00 -1.21 0.00 0.00 61.69 58.53 2jqa s THR 76 Cb 0.01 -1.99 0.03 0.00 -1.51 0.00 0.00 72.50 69.04 2jqa s THR 76 CO -0.09 -0.57 0.08 -0.89 -2.21 0.00 0.00 174.62 170.94 2jqa s THR 77 N -3.78 -0.10 -0.08 5.08 2.01 -1.26 -2.34 115.64 115.17 2jqa s THR 77 Ca 0.21 0.30 -0.31 0.00 0.31 0.00 0.00 61.69 62.20 2jqa s THR 77 Cb 0.07 -0.16 0.12 0.00 0.01 0.00 0.00 72.50 72.53 2jqa s THR 77 CO 0.01 0.12 1.00 0.28 -0.69 0.00 0.00 174.62 175.34 2jqa s THR 78 N 1.62 0.00 -0.49 -0.82 -1.32 -0.46 -4.71 115.64 109.46 2jqa s THR 78 Ca -0.03 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.50 2jqa s THR 78 Cb -0.12 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 69.95 2jqa s THR 78 CO -0.04 0.00 0.86 0.00 -2.21 0.00 0.00 174.62 173.23 2jqa n HIS 79 N -0.13 0.09 -2.13 9.09 1.44 -1.26 -0.66 115.22 121.67 2jqa n HIS 79 Ca -0.06 -0.23 -0.28 0.00 -2.01 0.00 0.00 57.72 55.14 2jqa n HIS 79 Cb 0.60 -0.02 0.16 0.00 0.12 0.00 0.00 29.99 30.86 2jqa n HIS 79 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2jqa s SER 80 N -0.67 3.46 -1.28 4.39 0.15 -1.26 -4.85 113.70 113.65 2jqa s SER 80 Ca 0.07 0.07 -0.18 0.00 0.70 0.00 0.00 55.95 56.61 2jqa s SER 80 Cb 0.04 -0.21 0.07 0.00 -1.71 0.00 0.00 66.02 64.21 2jqa s SER 80 CO 0.06 -2.49 1.73 -0.83 1.20 0.00 0.00 173.24 172.91 2jqa s GLY 81 N -4.85 1.58 0.00 9.45 0.00 -1.26 -3.00 107.32 109.24 2jqa s GLY 81 Ca 0.72 -2.86 0.00 0.00 0.00 0.00 0.00 44.72 42.58 2jqa s GLY 81 CO 0.51 2.75 0.00 0.61 0.00 0.00 0.00 173.10 176.96 2jqa n GLY 82 N 5.50 1.43 3.65 0.20 0.00 -1.26 -4.68 105.19 110.02 2jqa n GLY 82 Ca 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 46.38 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 0.21 0.04 1.61 0.00 -1.16 -5.13 119.30 114.87 2jqa s MET 83 Ca 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 55.69 56.00 2jqa s MET 83 Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 34.83 34.87 2jqa s MET 83 CO 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 175.02 175.02 2jqa s ALA 84 N 0.92 0.11 0.00 4.11 0.00 -1.26 -4.03 121.76 121.60 2jqa s ALA 84 Ca -0.05 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2jqa s ALA 84 Cb -0.03 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.31 2jqa s ALA 84 CO -0.12 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.76 2jqa n GLY 85 N 0.85 1.80 3.67 0.00 0.00 0.17 -4.99 105.19 106.68 2jqa n GLY 85 Ca -0.19 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 2jqa n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jqa s MET 86 N -2.00 4.10 -0.98 1.61 -2.45 -1.26 -1.35 119.30 116.97 2jqa s MET 86 Ca 0.00 -0.20 -0.16 0.00 -1.25 0.00 0.00 55.69 54.08 2jqa s MET 86 Cb 0.00 -3.53 0.02 0.00 1.25 0.00 0.00 34.83 32.58 2jqa s MET 86 CO 0.00 0.07 0.62 1.17 1.05 0.00 0.00 175.02 177.93 2jqa n LYS 87 N 4.22 -0.92 -4.14 4.11 0.00 -0.99 -4.97 118.16 115.47 2jqa n LYS 87 Ca -0.14 0.41 -0.09 0.00 0.00 0.00 0.00 58.31 58.49 2jqa n LYS 87 Cb 0.52 -2.23 -0.10 0.00 0.00 0.00 0.00 35.03 33.22 2jqa n LYS 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2jqa s MET 88 N -6.05 0.83 0.33 1.64 -1.94 -1.07 -4.89 119.30 108.15 2jqa s MET 88 Ca 0.22 -1.37 -0.28 0.00 -1.71 0.00 0.00 55.69 52.55 2jqa s MET 88 Cb -0.12 0.15 -0.13 0.00 2.01 0.00 0.00 34.83 36.74 2jqa s MET 88 CO 0.91 -0.18 1.20 1.33 -0.01 0.00 0.00 175.02 178.27 2jqa n VAL 89 N -0.04 2.01 -2.31 -6.03 0.24 -1.24 -1.44 118.33 109.52 2jqa n VAL 89 Ca -0.09 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.34 61.34 2jqa n VAL 89 Cb 0.63 -1.39 -0.01 0.00 -1.47 0.00 0.00 33.84 31.59 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 -1.79 3.79 1.11 7.34 0.04 -1.26 -4.83 135.00 139.40 2jqa s PRO 90 Ca 0.56 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 63.13 2jqa s PRO 90 Cb -0.61 -2.38 0.25 0.00 0.04 0.00 0.00 34.50 31.80 2jqa s PRO 90 CO 0.61 -0.51 1.21 1.67 0.04 0.00 0.00 177.00 180.02 2jqa s TRP 91 N -1.60 0.89 0.24 0.56 -2.14 -1.26 -4.56 118.94 111.08 2jqa s TRP 91 Ca 0.64 0.39 -0.30 0.00 2.66 0.00 0.00 56.10 59.48 2jqa s TRP 91 Cb -0.27 -3.77 -0.14 0.00 -3.10 0.00 0.00 33.47 26.19 2jqa s TRP 91 CO 0.32 -3.39 1.15 1.47 -2.66 0.00 0.00 176.95 173.85 2jqa n LEU 92 N -4.35 2.02 -4.76 -4.66 -0.00 -1.26 -4.07 117.00 99.93 2jqa n LEU 92 Ca 0.15 1.16 -0.36 0.00 -0.00 0.00 0.00 56.01 56.96 2jqa n LEU 92 Cb 0.59 -1.30 0.02 0.00 -0.00 0.00 0.00 43.42 42.74 2jqa n LEU 92 CO 0.45 -1.15 0.83 0.42 -0.00 0.00 0.00 177.39 177.94 2jqa s THR 93 N -0.56 2.77 -0.53 1.47 -4.23 0.41 -4.27 115.64 110.70 2jqa s THR 93 Ca 0.65 0.49 -0.30 0.00 -1.18 0.00 0.00 61.69 61.36 2jqa s THR 93 Cb -0.74 -3.20 0.04 0.00 1.34 0.00 0.00 72.50 69.94 2jqa s THR 93 CO 0.55 -0.09 0.64 -0.38 -0.54 0.00 0.00 174.62 174.80 2jqa n ILE 94 N -1.40 -3.59 -2.00 2.99 5.41 -1.26 -3.22 119.36 116.29 2jqa n ILE 94 Ca 0.12 0.05 -0.36 0.00 1.00 0.00 0.00 62.75 63.56 2jqa n ILE 94 Cb 0.50 -3.27 0.04 0.00 -0.71 0.00 0.00 39.64 36.19 2jqa n ILE 94 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2jqa s PRO 95 N -3.00 2.95 -0.38 0.38 0.04 -1.22 -3.74 135.00 130.02 2jqa s PRO 95 Ca 0.29 1.84 -0.27 0.00 0.04 0.00 0.00 61.00 62.90 2jqa s PRO 95 Cb -0.03 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 2jqa s PRO 95 CO 0.86 -1.23 2.34 0.00 0.04 0.00 0.00 177.00 179.02 2jqa n ALA 96 N -1.61 1.19 -1.09 8.56 0.00 -1.26 -1.86 120.51 124.44 2jqa n ALA 96 Ca 0.14 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2jqa n ALA 96 Cb 0.50 -3.08 0.00 0.00 0.00 0.00 0.00 19.45 16.87 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 8.89 0.00 -4.03 0.00 0.63 -1.26 -5.07 116.66 115.81 2jqa n ARG 97 Ca 0.35 0.35 -0.08 0.00 -0.92 0.00 0.00 57.85 57.54 2jqa n ARG 97 Cb 0.50 -3.47 -0.09 0.00 0.45 0.00 0.00 32.46 29.84 2jqa n ARG 97 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2jqa s GLY 98 N -2.89 0.52 -0.19 5.14 0.00 -0.78 -4.98 107.32 104.14 2jqa s GLY 98 Ca 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 44.72 43.61 2jqa s GLY 98 CO 0.00 -1.15 -0.13 -1.08 0.00 0.00 0.00 173.10 170.74 2jqa s THR 99 N -3.95 2.68 0.23 0.90 -1.32 -1.26 -3.43 115.64 109.49 2jqa s THR 99 Ca 0.12 -0.74 -0.31 0.00 -1.21 0.00 0.00 61.69 59.55 2jqa s THR 99 Cb 0.07 -2.16 -0.11 0.00 -1.51 0.00 0.00 72.50 68.78 2jqa s THR 99 CO -0.06 0.49 1.65 -0.22 -2.21 0.00 0.00 174.62 174.28 2jqa s LEU 100 N 1.21 4.36 -0.09 9.08 2.96 -1.26 -4.94 118.68 130.01 2jqa s LEU 100 Ca 0.02 2.86 0.03 0.00 -0.22 0.00 0.00 54.13 56.82 2jqa s LEU 100 Cb -0.14 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 42.95 2jqa s LEU 100 CO -0.06 -0.93 -0.16 -0.89 -1.32 0.00 0.00 176.35 172.99 2jqa s THR 101 N 0.74 1.51 -0.41 3.68 2.01 -1.26 -3.00 115.64 118.91 2jqa s THR 101 Ca 0.70 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 62.03 2jqa s THR 101 Cb -0.48 -1.36 0.15 0.00 0.01 0.00 0.00 72.50 70.82 2jqa s THR 101 CO 0.38 0.44 0.26 -0.76 -0.69 0.00 0.00 174.62 174.25 2jqa s LEU 102 N 0.70 1.79 0.07 4.42 1.43 -0.28 -4.79 118.68 122.02 2jqa s LEU 102 Ca -0.13 -2.58 0.02 0.00 -1.03 0.00 0.00 54.13 50.41 2jqa s LEU 102 Cb -0.16 -0.67 -0.03 0.00 0.03 0.00 0.00 46.19 45.36 2jqa s LEU 102 CO 0.03 -0.26 -0.08 -1.10 0.23 0.00 0.00 176.35 175.18 2jqa s GLN 103 N 0.52 0.71 0.56 1.70 -1.52 -0.18 -2.17 119.66 119.28 2jqa s GLN 103 Ca 0.21 -1.06 0.37 0.00 -1.95 0.00 0.00 55.36 52.93 2jqa s GLN 103 Cb -0.17 -0.29 2.03 0.00 -0.22 0.00 0.00 33.01 34.35 2jqa s GLN 103 CO -0.04 0.03 2.14 0.07 -0.25 0.00 0.00 175.29 177.24 2jqa h ARG 104 N 3.70 0.00 0.00 2.91 0.11 -1.95 0.83 114.38 119.98 2jqa h ARG 104 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 2jqa h ARG 104 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2jqa h ARG 104 CO 0.53 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.35 2jqa n ASP 105 N -2.81 0.52 0.00 0.08 8.00 -1.26 -4.57 116.55 116.51 2jqa n ASP 105 Ca -0.02 0.73 0.00 0.00 0.71 0.00 0.00 54.79 56.21 2jqa n ASP 105 Cb 0.06 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 40.36 2jqa n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jqa n GLY 106 N -1.17 -0.28 0.00 0.44 0.00 -0.77 -5.13 105.19 98.29 2jqa n GLY 106 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2jqa n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jqa n ASP 107 N -2.08 0.00 -3.15 1.61 8.00 0.21 -4.62 116.55 116.52 2jqa n ASP 107 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 2jqa n ASP 107 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2jqa n ASP 107 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2jqa s HIS 108 N -2.00 0.50 0.29 1.24 -3.43 -0.59 -1.01 115.29 110.29 2jqa s HIS 108 Ca 0.00 -0.97 -0.28 0.00 -0.80 0.00 0.00 55.06 53.01 2jqa s HIS 108 Cb 0.00 0.43 -0.09 0.00 -1.43 0.00 0.00 32.58 31.49 2jqa s HIS 108 CO 0.00 -1.36 1.03 0.14 -2.00 0.00 0.00 174.74 172.56 2jqa s VAL 109 N -2.76 3.75 -0.16 -5.38 -7.23 -1.25 -2.91 120.40 104.46 2jqa s VAL 109 Ca 0.22 1.65 -0.12 0.00 -1.81 0.00 0.00 61.98 61.91 2jqa s VAL 109 Cb -0.03 -4.01 0.05 0.00 0.56 0.00 0.00 36.38 32.95 2jqa s VAL 109 CO 0.15 0.31 0.40 0.00 -0.31 0.00 0.00 175.10 175.65 2jqa s MET 110 N -1.62 0.44 -0.66 4.82 0.23 0.15 -2.16 119.30 120.50 2jqa s MET 110 Ca 0.46 0.64 -0.18 0.00 -1.03 0.00 0.00 55.69 55.58 2jqa s MET 110 Cb -0.27 0.14 0.12 0.00 -1.53 0.00 0.00 34.83 33.29 2jqa s MET 110 CO 0.35 -0.09 0.77 -0.51 -2.03 0.00 0.00 175.02 173.50 2jqa s LEU 111 N 0.62 5.52 -0.13 0.18 1.43 -0.17 -1.11 118.68 125.03 2jqa s LEU 111 Ca -0.03 -1.67 -0.11 0.00 -1.03 0.00 0.00 54.13 51.29 2jqa s LEU 111 Cb -0.05 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 2jqa s LEU 111 CO -0.04 -1.04 0.24 -0.32 0.23 0.00 0.00 176.35 175.41 2jqa s MET 112 N 2.37 3.93 -0.55 1.70 1.75 -0.62 -1.82 119.30 126.07 2jqa s MET 112 Ca 0.15 0.03 -0.01 0.00 -1.25 0.00 0.00 55.69 54.60 2jqa s MET 112 Cb -0.20 -3.31 0.00 0.00 2.84 0.00 0.00 34.83 34.16 2jqa s MET 112 CO 0.02 0.50 0.47 0.41 -0.65 0.00 0.00 175.02 175.77 2jqa n GLY 113 N 2.69 0.16 2.87 2.11 0.00 -1.10 -1.53 105.19 110.39 2jqa n GLY 113 Ca -0.15 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 2jqa n GLY 113 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jqa n LEU 114 N -2.41 0.00 0.12 0.99 0.00 0.29 -0.99 117.00 115.00 2jqa n LEU 114 Ca -0.08 -1.05 0.00 0.00 0.00 0.00 0.00 56.01 54.87 2jqa n LEU 114 Cb 0.56 -0.77 0.00 0.00 0.00 0.00 0.00 43.42 43.20 2jqa n LEU 114 CO 0.27 -1.40 0.00 2.29 0.00 0.00 0.00 177.39 178.55 2jqa n LYS 115 N -3.40 0.00 -2.36 1.96 2.85 -1.26 -4.89 118.16 111.06 2jqa n LYS 115 Ca 0.12 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.98 2jqa n LYS 115 Cb 0.44 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.79 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 -1.62 4.55 0.93 -1.58 0.52 -1.26 -5.05 118.95 115.43 2jqa s ARG 116 Ca 0.00 1.93 -0.13 0.00 -0.52 0.00 0.00 55.73 57.01 2jqa s ARG 116 Cb 0.00 -3.16 0.15 0.00 0.52 0.00 0.00 34.95 32.47 2jqa s ARG 116 CO 0.00 0.08 1.15 -1.25 0.02 0.00 0.00 175.30 175.30 2jqa s PRO 117 N -1.49 0.96 0.05 3.54 0.04 -1.26 -5.11 135.00 131.72 2jqa s PRO 117 Ca 0.46 0.21 -0.23 0.00 0.04 0.00 0.00 61.00 61.48 2jqa s PRO 117 Cb -0.34 -1.83 0.06 0.00 0.04 0.00 0.00 34.50 32.43 2jqa s PRO 117 CO 0.44 -2.30 0.54 -0.48 0.04 0.00 0.00 177.00 175.24 2jqa s LEU 118 N -6.08 -0.18 0.10 -3.56 0.05 -1.26 -5.15 118.68 102.60 2jqa s LEU 118 Ca 0.65 0.21 -0.06 0.00 0.05 0.00 0.00 54.13 54.98 2jqa s LEU 118 Cb -0.14 2.21 -0.02 0.00 -2.05 0.00 0.00 46.19 46.20 2jqa s LEU 118 CO 0.53 -0.73 0.14 -1.59 -0.55 0.00 0.00 176.35 174.15 2jqa s LYS 119 N -2.45 0.87 0.00 1.48 0.00 -1.26 -4.35 119.74 114.03 2jqa s LYS 119 Ca -0.05 -1.15 0.00 0.00 0.00 0.00 0.00 55.97 54.77 2jqa s LYS 119 Cb -0.01 0.30 0.00 0.00 0.00 0.00 0.00 37.83 38.13 2jqa s LYS 119 CO -0.02 -0.26 0.52 1.55 0.00 0.00 0.00 175.35 177.14 2jqa n VAL 120 N -0.06 0.52 -0.56 1.79 3.14 -1.26 -1.63 118.33 120.28 2jqa n VAL 120 Ca -0.12 0.21 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 2jqa n VAL 120 Cb 0.62 -1.21 0.00 0.00 -1.06 0.00 0.00 33.84 32.20 2jqa n VAL 120 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2jqa n GLY 121 N -1.02 -0.30 3.96 7.55 0.00 -1.21 -4.33 105.19 109.84 2jqa n GLY 121 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.38 3.15 0.13 1.61 2.12 -0.64 -4.91 118.70 119.77 2jqa s GLU 122 Ca 0.00 -0.98 0.09 0.00 0.36 0.00 0.00 54.97 54.43 2jqa s GLU 122 Cb 0.00 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 2jqa s GLU 122 CO 0.00 0.18 -0.15 -0.08 -0.54 0.00 0.00 175.26 174.67 2jqa s THR 123 N -2.14 3.03 0.35 -1.70 -1.32 -1.26 -0.49 115.64 112.11 2jqa s THR 123 Ca 0.41 -1.48 0.00 0.00 -1.21 0.00 0.00 61.69 59.41 2jqa s THR 123 Cb -0.09 -2.42 -0.00 0.00 -1.51 0.00 0.00 72.50 68.48 2jqa s THR 123 CO 0.30 0.06 0.44 0.68 -2.21 0.00 0.00 174.62 173.88 2jqa s VAL 124 N -1.27 0.00 -0.00 5.08 -7.23 0.63 -4.97 120.40 112.64 2jqa s VAL 124 Ca 0.20 -1.69 0.08 0.00 -1.81 0.00 0.00 61.98 58.76 2jqa s VAL 124 Cb -0.10 -2.63 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 2jqa s VAL 124 CO 0.12 0.00 -0.24 0.20 -0.31 0.00 0.00 175.10 174.87 2jqa s ASN 125 N -3.28 2.85 0.01 4.85 0.01 -1.26 -1.33 114.94 116.80 2jqa s ASN 125 Ca 0.33 -0.47 0.02 0.00 -0.71 0.00 0.00 52.86 52.03 2jqa s ASN 125 Cb 0.00 -0.30 -0.01 0.00 0.41 0.00 0.00 41.25 41.35 2jqa s ASN 125 CO 0.22 0.28 -0.08 -0.63 -1.51 0.00 0.00 177.10 175.39 2jqa s ILE 126 N -0.62 0.58 -0.29 0.60 -1.09 0.03 -4.75 121.20 115.65 2jqa s ILE 126 Ca 0.10 -0.50 -0.14 0.00 -2.23 0.00 0.00 60.65 57.87 2jqa s ILE 126 Cb -0.09 -0.52 -0.03 0.00 -1.58 0.00 0.00 42.46 40.23 2jqa s ILE 126 CO -0.00 0.03 0.33 0.42 -1.23 0.00 0.00 174.94 174.50 2jqa s THR 127 N -0.45 5.20 0.46 2.92 -4.23 -0.01 -0.09 115.64 119.43 2jqa s THR 127 Ca 0.00 0.35 0.01 0.00 -1.18 0.00 0.00 61.69 60.87 2jqa s THR 127 Cb -0.04 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.10 2jqa s THR 127 CO 0.00 0.11 0.67 -0.76 -0.54 0.00 0.00 174.62 174.09 2jqa s LEU 128 N 2.00 3.62 -0.23 4.79 1.43 0.13 -0.58 118.68 129.84 2jqa s LEU 128 Ca 0.13 0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 53.27 2jqa s LEU 128 Cb -0.16 -3.06 0.07 0.00 0.03 0.00 0.00 46.19 43.08 2jqa s LEU 128 CO 0.11 -0.75 0.55 -0.75 0.23 0.00 0.00 176.35 175.74 2jqa s LYS 129 N -4.55 0.55 0.15 1.70 2.36 -1.26 -0.33 119.74 118.36 2jqa s LYS 129 Ca 0.50 1.02 -0.02 0.00 -2.55 0.00 0.00 55.97 54.91 2jqa s LYS 129 Cb -0.10 0.07 -0.05 0.00 -1.05 0.00 0.00 37.83 36.71 2jqa s LYS 129 CO 0.37 -0.16 0.35 0.00 1.55 0.00 0.00 175.35 177.46 2jqa s ALA 130 N 1.56 3.85 0.63 3.13 0.00 -1.25 -0.16 121.76 129.52 2jqa s ALA 130 Ca -0.10 -0.71 0.31 0.00 0.00 0.00 0.00 51.96 51.47 2jqa s ALA 130 Cb -0.07 -2.02 1.70 0.00 0.00 0.00 0.00 23.12 22.73 2jqa s ALA 130 CO -0.16 0.62 2.01 1.15 0.00 0.00 0.00 175.76 179.38 2jqa h THR 131 N 1.88 0.19 0.00 0.00 2.02 -1.94 -1.27 112.91 113.79 2jqa h THR 131 Ca -0.46 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.66 2jqa h THR 131 Cb 1.17 0.73 -0.11 0.00 -1.74 0.00 0.00 68.15 68.21 2jqa h THR 131 CO 0.72 0.00 -0.59 -0.67 0.37 0.00 0.00 175.52 175.35 2jqa n ASP 132 N -3.29 0.22 -4.59 4.18 2.03 -1.26 -5.11 116.55 108.73 2jqa n ASP 132 Ca 0.01 -1.91 -0.25 0.00 0.52 0.00 0.00 54.79 53.16 2jqa n ASP 132 Cb 0.39 -0.19 -0.09 0.00 -0.72 0.00 0.00 41.12 40.51 2jqa n ASP 132 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2jqa s GLY 133 N -1.17 2.02 -0.45 0.27 0.00 -0.48 -5.06 107.32 102.45 2jqa s GLY 133 Ca 0.09 -1.94 0.04 0.00 0.00 0.00 0.00 44.72 42.91 2jqa s GLY 133 CO -0.04 -1.92 1.91 0.54 0.00 0.00 0.00 173.10 173.59 2jqa n ARG 134 N -0.86 2.29 -0.28 2.90 5.12 -1.26 -3.93 116.66 120.64 2jqa n ARG 134 Ca -0.05 -3.01 0.03 0.00 -1.93 0.00 0.00 57.85 52.89 2jqa n ARG 134 Cb 0.62 -2.18 -0.02 0.00 -1.16 0.00 0.00 32.46 29.73 2jqa n ARG 134 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2jqa n THR 135 N -1.12 -0.09 -3.66 0.55 -1.04 -1.26 -5.04 114.28 102.62 2jqa n THR 135 Ca 0.59 0.14 -0.07 0.00 -2.04 0.00 0.00 64.05 62.67 2jqa n THR 135 Cb 1.67 -0.23 -0.08 0.00 -1.82 0.00 0.00 70.33 69.87 2jqa n THR 135 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2jqa s LEU 136 N -5.05 -0.70 -0.63 -4.42 2.96 0.55 -4.89 118.68 106.51 2jqa s LEU 136 Ca 0.00 1.29 -0.22 0.00 -0.22 0.00 0.00 54.13 54.98 2jqa s LEU 136 Cb 0.00 1.96 0.07 0.00 0.50 0.00 0.00 46.19 48.72 2jqa s LEU 136 CO 0.00 -0.22 0.92 0.54 -1.32 0.00 0.00 176.35 176.27 2jqa s ASN 137 N 1.88 6.20 0.16 3.68 4.22 -1.26 -0.69 114.94 129.12 2jqa s ASN 137 Ca -0.08 -0.94 0.10 0.00 -2.14 0.00 0.00 52.86 49.80 2jqa s ASN 137 Cb -0.08 -2.40 -0.04 0.00 1.28 0.00 0.00 41.25 40.01 2jqa s ASN 137 CO -0.17 -1.36 -0.21 -0.69 -2.04 0.00 0.00 177.10 172.63 2jqa s VAL 138 N 3.86 2.00 1.08 3.54 1.01 0.87 -4.99 120.40 127.77 2jqa s VAL 138 Ca 0.22 -1.88 -0.16 0.00 0.00 0.00 0.00 61.98 60.16 2jqa s VAL 138 Cb -0.17 -1.89 0.23 0.00 0.00 0.00 0.00 36.38 34.55 2jqa s VAL 138 CO 0.11 -0.18 1.13 0.00 0.00 0.00 0.00 175.10 176.17 2jqa s ALA 139 N -1.70 1.04 -0.28 5.51 0.00 -1.26 -0.79 121.76 124.27 2jqa s ALA 139 Ca 0.16 -0.78 -0.23 0.00 0.00 0.00 0.00 51.96 51.11 2jqa s ALA 139 Cb -0.07 -2.95 0.13 0.00 0.00 0.00 0.00 23.12 20.22 2jqa s ALA 139 CO 0.07 -3.09 1.01 0.00 0.00 0.00 0.00 175.76 173.75 2jqa s ALA 140 N -3.14 -2.03 0.04 0.00 0.00 -0.44 -4.55 121.76 111.64 2jqa s ALA 140 Ca 0.69 1.96 0.04 0.00 0.00 0.00 0.00 51.96 54.65 2jqa s ALA 140 Cb -0.12 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 2jqa s ALA 140 CO 0.56 -0.26 -0.06 0.99 0.00 0.00 0.00 175.76 176.98 2jqa s THR 141 N 0.50 3.67 -0.14 0.00 2.01 -0.81 -0.27 115.64 120.62 2jqa s THR 141 Ca 0.00 -0.92 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 2jqa s THR 141 Cb -0.05 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 2jqa s THR 141 CO -0.09 0.28 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.41 2jqa s VAL 142 N -1.11 3.99 -0.30 3.82 1.01 0.36 -0.17 120.40 128.01 2jqa s VAL 142 Ca 0.20 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 2jqa s VAL 142 Cb -0.11 -2.73 0.19 0.00 0.00 0.00 0.00 36.38 33.72 2jqa s VAL 142 CO 0.11 0.52 0.75 -0.54 0.00 0.00 0.00 175.10 175.93 2jqa s LYS 143 N 0.07 0.44 -1.32 2.72 1.02 0.08 -3.30 119.74 119.45 2jqa s LYS 143 Ca 0.00 0.72 -0.16 0.00 0.02 0.00 0.00 55.97 56.56 2jqa s LYS 143 Cb -0.13 0.39 0.00 0.00 -0.52 0.00 0.00 37.83 37.57 2jqa s LYS 143 CO 0.02 -0.53 2.13 0.36 -0.92 0.00 0.00 175.35 176.41 2jqa n LYS 144 N 5.43 2.61 0.00 1.68 0.00 -1.26 -4.32 118.16 122.29 2jqa n LYS 144 Ca -0.02 -2.51 0.00 0.00 -0.00 0.00 0.00 58.31 55.78 2jqa n LYS 144 Cb 0.52 -3.24 0.00 0.00 -0.00 0.00 0.00 35.03 32.31 2jqa n LYS 144 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2jqa n ASN 145 N 6.67 0.94 0.03 -5.58 4.05 -1.26 -3.56 115.26 116.55 2jqa n ASN 145 Ca 0.51 -0.93 0.00 0.00 0.45 0.00 0.00 54.58 54.61 2jqa n ASN 145 Cb 0.40 -0.23 0.00 0.00 1.23 0.00 0.00 39.78 41.18 2jqa n ASN 145 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 2jqa n ILE 146 N 0.53 0.00 -1.74 -1.44 -0.00 -1.26 -5.15 119.36 110.30 2jqa n ILE 146 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 62.75 62.74 2jqa n ILE 146 Cb 0.18 -0.06 -0.01 0.00 -0.00 0.00 0.00 39.64 39.75 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 -2.66 -1.02 0.00 0.38 2.13 -1.23 -5.10 120.64 113.13 2jqa n GLU 147 Ca 0.00 1.16 0.00 0.00 0.66 0.00 0.00 57.16 58.98 2jqa n GLU 147 Cb 0.00 -1.90 0.00 0.00 0.27 0.00 0.00 31.44 29.81 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 0.38 1.57 3.23 8.31 0.00 -1.26 -5.24 105.19 112.18 2jqa n GLY 148 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2jqa n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19