#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqa s GLY 2 N 0.00 1.98 0.04 3.03 0.00 -1.26 -5.08 107.32 106.03 2jqa s GLY 2 Ca 0.00 -1.82 0.07 0.00 0.00 0.00 0.00 44.72 42.97 2jqa s GLY 2 CO 0.00 0.91 -0.20 -1.58 0.00 0.00 0.00 173.10 172.23 2jqa s HIS 3 N 1.60 1.75 0.00 1.90 5.65 -1.26 -5.12 115.29 119.82 2jqa s HIS 3 Ca 0.03 -0.37 0.00 0.00 0.25 0.00 0.00 55.06 54.98 2jqa s HIS 3 Cb -0.20 -1.05 0.00 0.00 -1.18 0.00 0.00 32.58 30.15 2jqa s HIS 3 CO 0.07 0.08 0.00 -2.37 -0.65 0.00 0.00 174.74 171.87 2jqa n THR 4 N 1.92 0.00 -3.81 0.89 5.66 -1.26 -5.19 114.28 112.49 2jqa n THR 4 Ca -0.17 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.70 2jqa n THR 4 Cb 0.53 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.19 2jqa n THR 4 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jqa s MET 5 N -2.00 0.24 0.24 1.09 0.00 -1.26 -5.15 119.30 112.46 2jqa s MET 5 Ca 0.00 0.22 -0.30 0.00 0.00 0.00 0.00 55.69 55.61 2jqa s MET 5 Cb 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 34.83 34.86 2jqa s MET 5 CO 0.00 -0.03 1.14 -1.25 0.00 0.00 0.00 175.02 174.88 2jqa s PRO 6 N -0.00 4.57 -0.28 3.16 0.04 -1.26 -5.03 135.00 136.19 2jqa s PRO 6 Ca -0.01 1.84 -0.07 0.00 0.04 0.00 0.00 61.00 62.80 2jqa s PRO 6 Cb -0.02 -3.21 0.14 0.00 0.04 0.00 0.00 34.50 31.45 2jqa s PRO 6 CO 0.00 0.07 0.60 0.00 0.04 0.00 0.00 177.00 177.72 2jqa s ALA 7 N -0.68 -1.94 -0.30 8.56 0.00 -1.26 -5.14 121.76 121.00 2jqa s ALA 7 Ca 0.48 2.07 -0.11 0.00 0.00 0.00 0.00 51.96 54.41 2jqa s ALA 7 Cb -0.32 -1.80 0.16 0.00 0.00 0.00 0.00 23.12 21.15 2jqa s ALA 7 CO 0.40 -1.01 0.80 -1.58 0.00 0.00 0.00 175.76 174.37 2jqa s HIS 8 N 2.84 -1.06 -0.44 0.00 2.46 -1.26 -5.12 115.29 112.70 2jqa s HIS 8 Ca 0.01 1.67 0.07 0.00 0.47 0.00 0.00 55.06 57.29 2jqa s HIS 8 Cb -0.13 0.57 0.30 0.00 -0.13 0.00 0.00 32.58 33.19 2jqa s HIS 8 CO -0.19 -0.54 0.92 2.41 -2.47 0.00 0.00 174.74 174.87 2jqa n THR 9 N 5.27 -0.11 -2.26 0.89 -1.04 -1.26 -5.15 114.28 110.63 2jqa n THR 9 Ca -0.09 -2.37 -0.33 0.00 -2.04 0.00 0.00 64.05 59.22 2jqa n THR 9 Cb 0.51 0.77 -0.01 0.00 -1.82 0.00 0.00 70.33 69.79 2jqa n THR 9 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2jqa s PRO 10 N -0.29 3.53 0.77 -2.82 0.04 -1.26 -5.06 135.00 129.91 2jqa s PRO 10 Ca 0.29 1.26 -0.12 0.00 0.04 0.00 0.00 61.00 62.47 2jqa s PRO 10 Cb 0.27 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.80 2jqa s PRO 10 CO -0.12 -0.64 1.15 -1.25 0.04 0.00 0.00 177.00 176.18 2jqa s PRO 11 N -3.74 2.32 -0.24 0.56 0.04 -1.26 -5.11 135.00 127.57 2jqa s PRO 11 Ca 0.65 0.26 -0.14 0.00 0.04 0.00 0.00 61.00 61.80 2jqa s PRO 11 Cb -0.16 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.47 2jqa s PRO 11 CO 0.30 -1.37 0.59 0.00 0.04 0.00 0.00 177.00 176.56 2jqa s ALA 12 N -3.49 -1.57 -0.21 8.56 0.00 -1.26 -5.18 121.76 118.61 2jqa s ALA 12 Ca 0.60 2.06 -0.27 0.00 0.00 0.00 0.00 51.96 54.35 2jqa s ALA 12 Cb -0.11 -1.22 0.10 0.00 0.00 0.00 0.00 23.12 21.90 2jqa s ALA 12 CO 0.50 -0.33 0.90 1.14 0.00 0.00 0.00 175.76 177.97 2jqa s GLN 13 N 1.40 0.68 -0.13 0.00 -2.07 -1.26 -5.19 119.66 113.10 2jqa s GLN 13 Ca -0.09 0.51 -0.31 0.00 -1.82 0.00 0.00 55.36 53.65 2jqa s GLN 13 Cb -0.06 0.33 0.13 0.00 -1.09 0.00 0.00 33.01 32.32 2jqa s GLN 13 CO -0.15 -0.14 1.07 -0.08 -1.32 0.00 0.00 175.29 174.66 2jqa s THR 14 N -0.29 0.00 -0.48 3.63 -1.32 -1.26 -5.13 115.64 110.78 2jqa s THR 14 Ca -0.01 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.52 2jqa s THR 14 Cb -0.03 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.19 2jqa s THR 14 CO -0.00 0.00 0.89 0.00 -2.21 0.00 0.00 174.62 173.30 2jqa n ALA 15 N 0.10 -1.68 -2.32 11.08 0.00 -1.26 -5.12 120.51 121.32 2jqa n ALA 15 Ca -0.05 -1.24 -0.43 0.00 0.00 0.00 0.00 53.44 51.71 2jqa n ALA 15 Cb 0.59 -1.52 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 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 0.69 3.65 -0.16 0.00 0.04 -1.26 -4.98 135.00 132.98 2jqa s PRO 16 Ca 0.31 1.10 -0.17 0.00 0.04 0.00 0.00 61.00 62.29 2jqa s PRO 16 Cb 0.19 -4.01 0.05 0.00 0.04 0.00 0.00 34.50 30.77 2jqa s PRO 16 CO -0.20 -1.46 0.47 0.00 0.04 0.00 0.00 177.00 175.84 2jqa s ALA 17 N 5.28 -1.17 -0.12 8.56 0.00 -1.26 -5.17 121.76 127.89 2jqa s ALA 17 Ca 0.62 1.28 -0.30 0.00 0.00 0.00 0.00 51.96 53.56 2jqa s ALA 17 Cb -0.16 -0.70 0.10 0.00 0.00 0.00 0.00 23.12 22.36 2jqa s ALA 17 CO 0.30 -0.23 0.84 0.00 0.00 0.00 0.00 175.76 176.68 2jqa s ALA 18 N 0.12 -1.85 -0.14 0.00 0.00 -1.26 -5.19 121.76 113.43 2jqa s ALA 18 Ca -0.01 1.49 -0.19 0.00 0.00 0.00 0.00 51.96 53.25 2jqa s ALA 18 Cb -0.03 -0.43 0.05 0.00 0.00 0.00 0.00 23.12 22.71 2jqa s ALA 18 CO 0.01 -0.34 0.50 -1.14 0.00 0.00 0.00 175.76 174.80 2jqa s GLN 19 N -1.05 0.67 -0.24 0.00 0.74 -1.26 -5.18 119.66 113.34 2jqa s GLN 19 Ca -0.06 0.50 -0.24 0.00 0.05 0.00 0.00 55.36 55.62 2jqa s GLN 19 Cb -0.01 0.32 0.07 0.00 1.10 0.00 0.00 33.01 34.49 2jqa s GLN 19 CO 0.05 -0.12 0.67 -1.59 -0.55 0.00 0.00 175.29 173.75 2jqa s LYS 20 N -0.19 0.80 0.01 1.67 -2.85 -1.26 -5.20 119.74 112.73 2jqa s LYS 20 Ca -0.04 0.90 -0.29 0.00 -1.00 0.00 0.00 55.97 55.54 2jqa s LYS 20 Cb -0.03 0.39 0.10 0.00 -2.06 0.00 0.00 37.83 36.23 2jqa s LYS 20 CO 0.03 -0.10 1.11 0.00 0.10 0.00 0.00 175.35 176.48 2jqa s ALA 21 N 0.28 -1.96 -0.02 0.59 0.00 -1.26 -5.20 121.76 114.18 2jqa s ALA 21 Ca -0.01 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.38 2jqa s ALA 21 Cb -0.04 0.38 0.10 0.00 0.00 0.00 0.00 23.12 23.56 2jqa s ALA 21 CO 0.01 -0.92 0.86 0.20 0.00 0.00 0.00 175.76 175.91 2jqa s GLY 22 N -2.76 -0.45 -0.29 0.00 0.00 -1.26 -5.19 107.32 97.37 2jqa s GLY 22 Ca 0.11 1.20 -0.20 0.00 0.00 0.00 0.00 44.72 45.84 2jqa s GLY 22 CO -0.03 0.53 1.00 0.00 0.00 0.00 0.00 173.10 174.60 2jqa s ALA 23 N -2.57 -2.14 -0.17 3.20 0.00 -1.26 -5.18 121.76 113.63 2jqa s ALA 23 Ca 0.02 2.08 -0.28 0.00 0.00 0.00 0.00 51.96 53.77 2jqa s ALA 23 Cb -0.01 -1.60 0.08 0.00 0.00 0.00 0.00 23.12 21.59 2jqa s ALA 23 CO -0.05 -0.30 0.74 1.14 0.00 0.00 0.00 175.76 177.28 2jqa s GLN 24 N 0.90 0.90 0.47 0.00 0.00 -1.26 -5.19 119.66 115.47 2jqa s GLN 24 Ca -0.04 0.63 0.08 0.00 -0.00 0.00 0.00 55.36 56.02 2jqa s GLN 24 Cb -0.04 0.43 0.01 0.00 0.00 0.00 0.00 33.01 33.41 2jqa s GLN 24 CO -0.12 -0.20 0.49 0.00 0.00 0.00 0.00 175.29 175.47 2jqa s ALA 25 N -0.35 4.33 -0.72 2.60 0.00 -1.26 -5.09 121.76 121.27 2jqa s ALA 25 Ca -0.04 -1.78 0.04 0.00 0.00 0.00 0.00 51.96 50.17 2jqa s ALA 25 Cb -0.03 -1.16 0.30 0.00 0.00 0.00 0.00 23.12 22.24 2jqa s ALA 25 CO 0.04 -0.38 1.05 1.28 0.00 0.00 0.00 175.76 177.75 2jqa n LEU 26 N -1.76 4.82 -4.79 0.00 4.32 -1.26 -5.08 117.00 113.25 2jqa n LEU 26 Ca 0.06 -5.51 -0.34 0.00 -0.02 0.00 0.00 56.01 50.21 2jqa n LEU 26 Cb 0.62 -0.76 0.01 0.00 -1.62 0.00 0.00 43.42 41.66 2jqa n LEU 26 CO 0.41 2.13 0.74 -2.16 -1.22 0.00 0.00 177.39 177.28 2jqa s PRO 27 N -3.13 3.32 -0.12 3.23 0.04 -1.26 -5.05 135.00 132.03 2jqa s PRO 27 Ca 0.42 1.36 -0.08 0.00 0.04 0.00 0.00 61.00 62.74 2jqa s PRO 27 Cb 0.19 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2jqa s PRO 27 CO -0.06 -0.83 0.17 0.54 0.04 0.00 0.00 177.00 176.86 2jqa s VAL 28 N -2.18 5.45 0.23 -0.36 0.11 -1.26 -5.09 120.40 117.30 2jqa s VAL 28 Ca 0.67 0.27 -0.18 0.00 -2.93 0.00 0.00 61.98 59.81 2jqa s VAL 28 Cb -0.19 -3.44 0.02 0.00 -1.53 0.00 0.00 36.38 31.24 2jqa s VAL 28 CO 0.32 0.59 0.59 0.42 -3.33 0.00 0.00 175.10 173.68 2jqa s THR 29 N -0.80 0.01 -0.37 5.04 -4.23 -1.26 -4.47 115.64 109.57 2jqa s THR 29 Ca 0.15 -0.95 0.13 0.00 -1.18 0.00 0.00 61.69 59.84 2jqa s THR 29 Cb -0.12 -1.83 0.39 0.00 1.34 0.00 0.00 72.50 72.27 2jqa s THR 29 CO 0.04 -0.04 0.83 0.52 -0.54 0.00 0.00 174.62 175.42 2jqa n VAL 30 N -0.39 0.48 -4.41 2.29 0.31 -0.93 -4.81 118.33 110.86 2jqa n VAL 30 Ca -0.06 -4.16 -0.20 0.00 -0.01 0.00 0.00 64.34 59.91 2jqa n VAL 30 Cb 0.61 -0.06 -0.15 0.00 -0.91 0.00 0.00 33.84 33.33 2jqa n VAL 30 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jqa s GLN 31 N -2.75 0.87 -0.24 5.55 -2.07 -1.12 -4.05 119.66 115.85 2jqa s GLN 31 Ca 0.37 -0.34 0.14 0.00 -1.82 0.00 0.00 55.36 53.71 2jqa s GLN 31 Cb 0.38 -0.83 0.71 0.00 -1.09 0.00 0.00 33.01 32.19 2jqa s GLN 31 CO -0.05 0.18 1.65 0.41 -1.32 0.00 0.00 175.29 176.16 2jqa n GLY 32 N 3.00 3.51 3.39 2.60 0.00 -1.26 -4.98 105.19 111.45 2jqa n GLY 32 Ca -0.15 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 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 0.07 -2.58 -2.06 4.61 0.00 -1.26 -4.24 120.51 115.05 2jqa n ALA 33 Ca 0.28 -0.10 -0.34 0.00 0.00 0.00 0.00 53.44 53.29 2jqa n ALA 33 Cb 1.13 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.11 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 -3.15 4.59 0.20 0.00 2.01 -0.21 -1.77 115.64 117.32 2jqa s THR 34 Ca 0.16 1.15 0.06 0.00 0.31 0.00 0.00 61.69 63.36 2jqa s THR 34 Cb -0.05 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 2jqa s THR 34 CO 0.81 -0.10 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.86 2jqa s VAL 35 N -1.89 1.38 -0.39 3.82 1.01 0.16 -1.17 120.40 123.33 2jqa s VAL 35 Ca 0.53 -2.11 -0.16 0.00 0.00 0.00 0.00 61.98 60.24 2jqa s VAL 35 Cb -0.12 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.17 2jqa s VAL 35 CO 0.18 -0.54 0.38 0.00 0.00 0.00 0.00 175.10 175.11 2jqa s ALA 36 N -3.19 3.46 0.78 5.51 0.00 -0.11 -3.11 121.76 125.10 2jqa s ALA 36 Ca 0.23 -1.43 -0.15 0.00 0.00 0.00 0.00 51.96 50.61 2jqa s ALA 36 Cb 0.02 -2.93 0.03 0.00 0.00 0.00 0.00 23.12 20.25 2jqa s ALA 36 CO 0.06 -1.35 0.92 0.00 0.00 0.00 0.00 175.76 175.38 2jqa n ALA 37 N 5.43 -0.64 -3.37 0.00 0.00 -1.26 -4.56 120.51 116.12 2jqa n ALA 37 Ca -0.09 -0.29 -0.15 0.00 0.00 0.00 0.00 53.44 52.91 2jqa n ALA 37 Cb 0.48 -2.08 -0.06 0.00 0.00 0.00 0.00 19.45 17.78 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 -2.01 0.03 0.93 0.00 0.11 -1.26 -4.67 120.40 113.53 2jqa s VAL 38 Ca 0.70 -0.21 -0.11 0.00 -2.93 0.00 0.00 61.98 59.43 2jqa s VAL 38 Cb -0.31 -0.90 0.15 0.00 -1.53 0.00 0.00 36.38 33.79 2jqa s VAL 38 CO 0.54 -0.12 1.12 -2.16 -3.33 0.00 0.00 175.10 171.14 2jqa s PRO 39 N -1.69 0.95 0.56 1.54 0.04 -1.26 -4.84 135.00 130.30 2jqa s PRO 39 Ca -0.10 1.32 -0.18 0.00 0.04 0.00 0.00 61.00 62.08 2jqa s PRO 39 Cb -0.02 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.74 2jqa s PRO 39 CO 0.04 -2.61 1.11 -1.25 0.04 0.00 0.00 177.00 174.34 2jqa s PRO 40 N -4.69 3.29 0.00 0.56 0.04 -1.26 -3.41 135.00 129.54 2jqa s PRO 40 Ca 0.66 1.51 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2jqa s PRO 40 Cb -0.22 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2jqa s PRO 40 CO 0.59 -0.88 0.00 0.45 0.04 0.00 0.00 177.00 177.20 2jqa n SER 41 N -1.54 0.00 -4.81 6.66 2.88 -1.26 -5.02 113.62 110.53 2jqa n SER 41 Ca 0.11 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.29 2jqa n SER 41 Cb 0.51 -0.72 -0.06 0.00 -0.75 0.00 0.00 64.21 63.20 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 -2.84 4.53 -0.02 2.46 -1.09 -1.22 -5.01 121.20 118.01 2jqa s ILE 42 Ca 0.00 1.33 0.03 0.00 -2.23 0.00 0.00 60.65 59.77 2jqa s ILE 42 Cb 0.00 -3.86 0.04 0.00 -1.58 0.00 0.00 42.46 37.06 2jqa s ILE 42 CO 0.00 0.18 0.83 0.54 -1.23 0.00 0.00 174.94 175.26 2jqa n ARG 43 N 0.64 1.18 -3.76 2.79 1.74 -1.26 -4.98 116.66 113.01 2jqa n ARG 43 Ca -0.01 -1.19 -0.20 0.00 -0.77 0.00 0.00 57.85 55.67 2jqa n ARG 43 Cb 0.51 -0.80 -0.17 0.00 -1.02 0.00 0.00 32.46 30.97 2jqa n ARG 43 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2jqa s ASP 44 N -0.87 1.09 0.11 0.55 1.11 -1.26 -0.54 116.67 116.86 2jqa s ASP 44 Ca 0.04 0.00 -0.16 0.00 0.18 0.00 0.00 52.55 52.61 2jqa s ASP 44 Cb 0.04 -0.25 0.04 0.00 1.07 0.00 0.00 42.92 43.81 2jqa s ASP 44 CO 0.00 -0.19 0.41 0.28 1.18 0.00 0.00 175.17 176.85 2jqa s THR 45 N 1.81 0.07 0.57 -1.27 -1.32 -1.22 -5.00 115.64 109.29 2jqa s THR 45 Ca 0.01 -0.55 0.06 0.00 -1.21 0.00 0.00 61.69 60.01 2jqa s THR 45 Cb -0.12 -1.13 0.07 0.00 -1.51 0.00 0.00 72.50 69.81 2jqa s THR 45 CO -0.03 -0.30 0.79 0.00 -2.21 0.00 0.00 174.62 172.86 2jqa s ALA 46 N -3.60 4.38 0.33 11.08 0.00 -1.26 -0.60 121.76 132.08 2jqa s ALA 46 Ca 0.02 -1.88 0.05 0.00 0.00 0.00 0.00 51.96 50.15 2jqa s ALA 46 Cb 0.01 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 2jqa s ALA 46 CO -0.11 -0.86 0.31 0.00 0.00 0.00 0.00 175.76 175.10 2jqa s ALA 47 N -2.71 1.66 -0.09 0.00 0.00 -0.86 -0.93 121.76 118.82 2jqa s ALA 47 Ca 0.61 -1.97 -0.05 0.00 0.00 0.00 0.00 51.96 50.55 2jqa s ALA 47 Cb -0.07 1.42 0.04 0.00 0.00 0.00 0.00 23.12 24.51 2jqa s ALA 47 CO 0.39 -0.68 0.22 0.71 0.00 0.00 0.00 175.76 176.39 2jqa s TYR 48 N -3.40 -0.27 -0.27 0.00 1.51 -0.32 -2.52 117.35 112.09 2jqa s TYR 48 Ca 0.39 0.67 -0.05 0.00 -1.01 0.00 0.00 57.07 57.07 2jqa s TYR 48 Cb 0.02 0.03 0.14 0.00 -0.11 0.00 0.00 41.96 42.04 2jqa s TYR 48 CO 0.26 -0.19 0.52 -1.64 -1.11 0.00 0.00 175.55 173.39 2jqa s MET 49 N 0.97 0.47 -0.21 -0.62 -1.94 -0.68 -1.05 119.30 116.25 2jqa s MET 49 Ca -0.07 1.01 0.01 0.00 -1.71 0.00 0.00 55.69 54.93 2jqa s MET 49 Cb -0.09 0.35 0.05 0.00 2.01 0.00 0.00 34.83 37.15 2jqa s MET 49 CO -0.06 -0.45 -0.08 0.99 -0.01 0.00 0.00 175.02 175.42 2jqa s THR 50 N 2.75 1.52 -1.10 2.05 2.01 -1.24 -0.92 115.64 120.71 2jqa s THR 50 Ca 0.08 -1.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.02 2jqa s THR 50 Cb -0.14 -1.67 0.30 0.00 0.01 0.00 0.00 72.50 70.99 2jqa s THR 50 CO -0.18 0.07 1.56 -0.11 -0.69 0.00 0.00 174.62 175.28 2jqa n LEU 51 N 4.71 6.57 -4.56 4.42 0.00 -0.83 -2.20 117.00 125.11 2jqa n LEU 51 Ca -0.13 -5.18 -0.32 0.00 0.00 0.00 0.00 56.01 50.37 2jqa n LEU 51 Cb 0.46 -1.28 -0.04 0.00 0.00 0.00 0.00 43.42 42.56 2jqa n LEU 51 CO 0.19 1.71 1.47 -0.89 0.00 0.00 0.00 177.39 179.87 2jqa s THR 52 N -2.67 3.41 0.62 1.96 2.01 -1.26 -4.50 115.64 115.21 2jqa s THR 52 Ca 0.33 -0.10 -0.18 0.00 0.31 0.00 0.00 61.69 62.05 2jqa s THR 52 Cb 0.07 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 2jqa s THR 52 CO 0.08 -0.93 1.23 0.20 -0.69 0.00 0.00 174.62 174.50 2jqa s ASN 53 N 8.05 4.93 -0.42 3.53 -0.87 -1.26 -3.99 114.94 124.90 2jqa s ASN 53 Ca 0.69 2.44 0.08 0.00 -1.57 0.00 0.00 52.86 54.50 2jqa s ASN 53 Cb -0.09 -2.60 0.31 0.00 -0.02 0.00 0.00 41.25 38.85 2jqa s ASN 53 CO 0.09 -1.77 0.89 1.17 -2.57 0.00 0.00 177.10 174.91 2jqa n LYS 54 N -1.81 0.94 0.00 -0.60 4.81 -1.26 -4.96 118.16 115.28 2jqa n LYS 54 Ca 0.14 -2.58 0.00 0.00 -0.87 0.00 0.00 58.31 55.00 2jqa n LYS 54 Cb 0.49 -1.35 0.00 0.00 0.02 0.00 0.00 35.03 34.19 2jqa n LYS 54 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2jqa n SER 55 N 0.59 0.00 -3.18 3.14 7.64 -1.26 -5.02 113.62 115.54 2jqa n SER 55 Ca 0.15 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.78 2jqa n SER 55 Cb 0.66 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.84 2jqa n SER 55 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2jqa n ASP 56 N 0.00 5.67 -3.93 6.43 2.03 -1.26 -4.77 116.55 120.72 2jqa n ASP 56 Ca 0.00 -2.37 -0.30 0.00 0.52 0.00 0.00 54.79 52.64 2jqa n ASP 56 Cb 0.00 -1.18 -0.14 0.00 -0.72 0.00 0.00 41.12 39.08 2jqa n ASP 56 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2jqa s GLN 57 N 3.12 1.86 0.03 -0.67 -0.21 -1.26 -5.05 119.66 117.47 2jqa s GLN 57 Ca 0.46 -2.49 -0.30 0.00 0.02 0.00 0.00 55.36 53.04 2jqa s GLN 57 Cb 0.12 -3.21 -0.04 0.00 1.00 0.00 0.00 33.01 30.88 2jqa s GLN 57 CO -0.04 -1.10 1.01 -1.25 -2.12 0.00 0.00 175.29 171.80 2jqa s PRO 58 N -0.11 4.56 0.08 2.91 0.04 -1.26 -4.77 135.00 136.45 2jqa s PRO 58 Ca 0.16 1.48 0.03 0.00 0.04 0.00 0.00 61.00 62.72 2jqa s PRO 58 Cb -0.25 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 2jqa s PRO 58 CO -0.01 -0.04 0.05 0.42 0.04 0.00 0.00 177.00 177.46 2jqa s ILE 59 N 0.85 4.38 0.04 0.56 1.09 -1.26 -5.00 121.20 121.86 2jqa s ILE 59 Ca 0.52 -0.82 0.05 0.00 -1.10 0.00 0.00 60.65 59.31 2jqa s ILE 59 Cb -0.23 -3.10 -0.02 0.00 -1.06 0.00 0.00 42.46 38.05 2jqa s ILE 59 CO 0.29 0.14 -0.15 -1.59 -0.10 0.00 0.00 174.94 173.52 2jqa s LYS 60 N -2.33 1.00 -0.03 2.79 -2.85 -1.24 -2.65 119.74 114.43 2jqa s LYS 60 Ca 0.28 -0.79 -0.30 0.00 -1.00 0.00 0.00 55.97 54.16 2jqa s LYS 60 Cb -0.12 -1.03 0.11 0.00 -2.06 0.00 0.00 37.83 34.73 2jqa s LYS 60 CO 0.20 0.26 1.31 -1.17 0.10 0.00 0.00 175.35 176.05 2jqa s LEU 61 N -1.15 -0.01 -0.06 2.77 2.96 -0.23 -4.90 118.68 118.05 2jqa s LEU 61 Ca 0.02 -0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2jqa s LEU 61 Cb -0.08 1.29 -0.01 0.00 0.50 0.00 0.00 46.19 47.89 2jqa s LEU 61 CO 0.01 -0.25 -0.04 0.58 -1.32 0.00 0.00 176.35 175.33 2jqa h VAL 62 N 2.00 0.00 0.00 1.68 2.07 -1.28 -3.13 116.25 117.58 2jqa h VAL 62 Ca -0.26 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2jqa h VAL 62 Cb 1.19 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2jqa h VAL 62 CO 0.30 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.50 2jqa n GLY 63 N 1.80 -1.06 3.34 2.17 0.00 -1.26 -1.23 105.19 108.95 2jqa n GLY 63 Ca -0.02 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 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 2.57 0.01 4.61 0.00 -1.26 -3.50 121.76 123.20 2jqa s ALA 64 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2jqa s ALA 64 Cb 0.00 -1.20 -0.00 0.00 0.00 0.00 0.00 23.12 21.92 2jqa s ALA 64 CO 0.00 0.18 0.01 0.00 0.00 0.00 0.00 175.76 175.95 2jqa n ALA 65 N 3.66 0.02 -3.63 0.00 0.00 -0.10 -4.97 120.51 115.50 2jqa n ALA 65 Ca -0.18 -0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.11 2jqa n ALA 65 Cb 0.52 0.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 2jqa n ALA 65 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2jqa s THR 66 N -1.85 0.00 -1.27 0.00 -1.32 -1.26 -1.35 115.64 108.59 2jqa s THR 66 Ca 0.01 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.76 2jqa s THR 66 Cb 0.00 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.22 2jqa s THR 66 CO 0.01 0.00 1.70 -0.81 -2.21 0.00 0.00 174.62 173.31 2jqa n PRO 67 N 1.55 0.29 -0.11 7.08 -0.04 -1.26 -3.93 135.00 138.57 2jqa n PRO 67 Ca -0.10 -0.12 0.10 0.00 -0.04 0.00 0.00 63.50 63.34 2jqa n PRO 67 Cb 0.57 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.85 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 -1.25 1.95 -4.88 1.53 7.99 -1.26 -4.69 117.00 116.39 2jqa n LEU 68 Ca 0.09 -0.85 -0.30 0.00 -0.01 0.00 0.00 56.01 54.94 2jqa n LEU 68 Cb 0.32 -0.15 0.01 0.00 -0.11 0.00 0.00 43.42 43.49 2jqa n LEU 68 CO 0.29 0.43 0.68 0.00 -1.51 0.00 0.00 177.39 177.27 2jqa s ALA 69 N -1.70 3.14 -0.16 -1.18 0.00 -1.25 -4.59 121.76 116.02 2jqa s ALA 69 Ca 0.32 -0.15 -0.10 0.00 0.00 0.00 0.00 51.96 52.02 2jqa s ALA 69 Cb 0.17 -3.01 -0.23 0.00 0.00 0.00 0.00 23.12 20.05 2jqa s ALA 69 CO 0.25 -0.64 0.26 2.41 0.00 0.00 0.00 175.76 178.04 2jqa n THR 70 N -2.68 1.69 -4.07 0.00 -1.04 -1.07 -4.76 114.28 102.34 2jqa n THR 70 Ca 0.05 -0.47 -0.27 0.00 -2.04 0.00 0.00 64.05 61.32 2jqa n THR 70 Cb 0.54 -1.80 -0.17 0.00 -1.82 0.00 0.00 70.33 67.08 2jqa n THR 70 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2jqa s SER 71 N -6.98 2.27 0.04 8.00 0.01 -0.33 -5.00 113.70 111.71 2jqa s SER 71 Ca -0.26 -0.36 -0.31 0.00 1.31 0.00 0.00 55.95 56.34 2jqa s SER 71 Cb 0.07 -0.94 -0.06 0.00 0.21 0.00 0.00 66.02 65.30 2jqa s SER 71 CO 0.70 -0.07 1.37 -2.16 0.41 0.00 0.00 173.24 173.49 2jqa s PRO 72 N 1.45 4.31 -0.03 12.44 0.04 -1.26 -1.42 135.00 150.53 2jqa s PRO 72 Ca 0.01 1.97 0.07 0.00 0.04 0.00 0.00 61.00 63.09 2jqa s PRO 72 Cb -0.13 -3.46 -0.02 0.00 0.04 0.00 0.00 34.50 30.93 2jqa s PRO 72 CO -0.07 -0.50 -0.25 1.41 0.04 0.00 0.00 177.00 177.64 2jqa s MET 73 N 1.87 2.27 -0.03 4.56 1.75 -0.21 -4.94 119.30 124.57 2jqa s MET 73 Ca 0.63 -0.90 -0.01 0.00 -1.25 0.00 0.00 55.69 54.16 2jqa s MET 73 Cb -0.33 -2.11 0.03 0.00 2.84 0.00 0.00 34.83 35.27 2jqa s MET 73 CO 0.28 0.52 0.06 -0.51 -0.65 0.00 0.00 175.02 174.71 2jqa s LEU 74 N -0.50 0.71 -0.16 4.11 1.02 -1.26 -0.14 118.68 122.46 2jqa s LEU 74 Ca 0.07 0.09 -0.07 0.00 0.02 0.00 0.00 54.13 54.24 2jqa s LEU 74 Cb -0.11 -0.03 0.07 0.00 0.02 0.00 0.00 46.19 46.14 2jqa s LEU 74 CO 0.00 -0.17 0.36 -0.32 0.02 0.00 0.00 176.35 176.24 2jqa s MET 75 N 1.46 0.30 -0.42 1.70 1.75 -0.29 -1.27 119.30 122.52 2jqa s MET 75 Ca -0.04 0.80 0.04 0.00 -1.25 0.00 0.00 55.69 55.24 2jqa s MET 75 Cb -0.13 0.05 0.17 0.00 2.84 0.00 0.00 34.83 37.77 2jqa s MET 75 CO -0.03 -0.21 0.39 -0.08 -0.65 0.00 0.00 175.02 174.44 2jqa s THR 76 N 1.87 0.10 -1.20 10.11 -1.32 -1.26 -1.16 115.64 122.79 2jqa s THR 76 Ca -0.06 -2.30 -0.15 0.00 -1.21 0.00 0.00 61.69 57.98 2jqa s THR 76 Cb -0.10 -1.03 0.15 0.00 -1.51 0.00 0.00 72.50 70.01 2jqa s THR 76 CO -0.11 -1.02 1.45 0.42 -2.21 0.00 0.00 174.62 173.15 2jqa s THR 77 N 0.28 4.88 0.20 5.08 -4.23 -0.95 -3.82 115.64 117.08 2jqa s THR 77 Ca 0.31 -2.45 -0.01 0.00 -1.18 0.00 0.00 61.69 58.36 2jqa s THR 77 Cb 0.01 -4.94 -0.04 0.00 1.34 0.00 0.00 72.50 68.87 2jqa s THR 77 CO -0.16 -1.67 0.13 0.28 -0.54 0.00 0.00 174.62 172.66 2jqa s THR 78 N 2.04 0.01 -0.41 3.99 -1.32 -1.26 -4.91 115.64 113.77 2jqa s THR 78 Ca 0.43 -1.98 0.04 0.00 -1.21 0.00 0.00 61.69 58.97 2jqa s THR 78 Cb -0.02 -2.47 0.17 0.00 -1.51 0.00 0.00 72.50 68.67 2jqa s THR 78 CO 0.00 -0.03 0.34 -1.38 -2.21 0.00 0.00 174.62 171.34 2jqa s HIS 79 N -4.15 1.03 0.16 9.09 -3.43 -1.26 -0.70 115.29 116.04 2jqa s HIS 79 Ca 0.38 -2.27 -0.24 0.00 -0.80 0.00 0.00 55.06 52.12 2jqa s HIS 79 Cb 0.07 -0.90 0.06 0.00 -1.43 0.00 0.00 32.58 30.38 2jqa s HIS 79 CO 0.11 -0.83 0.96 0.45 -2.00 0.00 0.00 174.74 173.43 2jqa s SER 80 N 0.12 -0.16 1.89 7.38 0.15 -0.56 -4.97 113.70 117.56 2jqa s SER 80 Ca 0.32 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2jqa s SER 80 Cb 0.02 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2jqa s SER 80 CO -0.19 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 173.93 2jqa n GLY 81 N -0.49 2.07 0.25 9.45 0.00 -1.26 -1.69 105.19 113.51 2jqa n GLY 81 Ca -0.06 0.36 0.03 0.00 0.00 0.00 0.00 46.02 46.35 2jqa n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jqa n GLY 82 N 0.00 0.30 3.17 -0.02 0.00 -1.26 -5.07 105.19 102.31 2jqa n GLY 82 Ca 0.00 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.63 0.82 -0.15 1.61 0.00 -0.68 -5.16 119.30 115.11 2jqa s MET 83 Ca 0.08 -0.94 -0.14 0.00 0.00 0.00 0.00 55.69 54.69 2jqa s MET 83 Cb 0.05 -0.83 0.04 0.00 0.00 0.00 0.00 34.83 34.09 2jqa s MET 83 CO 0.07 0.19 0.41 0.00 0.00 0.00 0.00 175.02 175.68 2jqa s ALA 84 N -1.24 -1.00 -0.35 4.11 0.00 -1.26 -1.49 121.76 120.52 2jqa s ALA 84 Ca -0.02 1.17 -0.00 0.00 0.00 0.00 0.00 51.96 53.11 2jqa s ALA 84 Cb -0.10 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.34 2jqa s ALA 84 CO 0.02 -0.20 0.02 0.41 0.00 0.00 0.00 175.76 176.01 2jqa n GLY 85 N 2.96 0.24 3.95 0.00 0.00 0.13 -4.98 105.19 107.49 2jqa n GLY 85 Ca -0.14 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 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 -4.29 3.14 -0.03 1.61 -2.45 -1.25 -4.91 119.30 111.12 2jqa s MET 86 Ca 0.01 -0.49 -0.30 0.00 -1.25 0.00 0.00 55.69 53.66 2jqa s MET 86 Cb -0.00 -2.59 0.11 0.00 1.25 0.00 0.00 34.83 33.60 2jqa s MET 86 CO 0.01 -0.19 1.14 -1.59 1.05 0.00 0.00 175.02 175.45 2jqa s LYS 87 N -4.50 0.59 0.00 4.11 0.00 -1.26 -3.12 119.74 115.57 2jqa s LYS 87 Ca 0.47 -0.29 0.00 0.00 0.00 0.00 0.00 55.97 56.15 2jqa s LYS 87 Cb -0.10 0.23 0.00 0.00 0.00 0.00 0.00 37.83 37.96 2jqa s LYS 87 CO 0.37 -0.27 0.00 -1.33 0.00 0.00 0.00 175.35 174.12 2jqa n MET 88 N -0.34 0.00 -3.65 1.78 2.81 -0.40 -4.91 117.12 112.41 2jqa n MET 88 Ca -0.06 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.83 2jqa n MET 88 Cb 0.61 -0.52 -0.06 0.00 -0.71 0.00 0.00 33.22 32.54 2jqa n MET 88 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2jqa s VAL 89 N -2.32 0.00 -0.61 2.03 0.11 -1.22 -4.52 120.40 113.88 2jqa s VAL 89 Ca 0.00 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 2jqa s VAL 89 Cb 0.00 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2jqa s VAL 89 CO 0.00 0.00 1.33 -2.16 -3.33 0.00 0.00 175.10 170.94 2jqa s PRO 90 N 0.73 3.33 0.13 1.54 0.04 -1.26 -4.81 135.00 134.70 2jqa s PRO 90 Ca -0.03 0.25 -0.35 0.00 0.04 0.00 0.00 61.00 60.91 2jqa s PRO 90 Cb -0.03 -4.11 -0.16 0.00 0.04 0.00 0.00 34.50 30.24 2jqa s PRO 90 CO -0.12 -1.92 1.33 -2.67 0.04 0.00 0.00 177.00 173.65 2jqa n TRP 91 N 9.26 1.58 -2.03 0.56 2.14 -1.26 -4.38 117.44 123.32 2jqa n TRP 91 Ca 0.09 0.59 -0.37 0.00 2.07 0.00 0.00 57.50 59.89 2jqa n TRP 91 Cb 0.49 -2.35 -0.00 0.00 -0.81 0.00 0.00 31.31 28.64 2jqa n TRP 91 CO 0.00 0.00 0.00 -0.11 2.07 0.00 0.00 177.69 179.65 2jqa n LEU 92 N 2.48 7.40 -3.86 5.67 0.00 -0.37 -4.82 117.00 123.49 2jqa n LEU 92 Ca 0.17 -4.81 -0.23 0.00 0.00 0.00 0.00 56.01 51.14 2jqa n LEU 92 Cb 0.22 -1.23 -0.17 0.00 0.00 0.00 0.00 43.42 42.25 2jqa n LEU 92 CO 0.62 1.92 -0.41 0.28 0.00 0.00 0.00 177.39 179.80 2jqa s THR 93 N -2.98 0.66 -0.15 1.96 -1.32 -1.26 -1.07 115.64 111.48 2jqa s THR 93 Ca 0.51 -0.11 -0.01 0.00 -1.21 0.00 0.00 61.69 60.87 2jqa s THR 93 Cb 0.28 -0.72 -0.01 0.00 -1.51 0.00 0.00 72.50 70.54 2jqa s THR 93 CO -0.20 0.29 -0.12 -0.51 -2.21 0.00 0.00 174.62 171.87 2jqa s ILE 94 N 1.49 3.08 -1.38 5.08 2.07 -1.09 -4.72 121.20 125.73 2jqa s ILE 94 Ca -0.01 -0.64 -0.15 0.00 -1.41 0.00 0.00 60.65 58.44 2jqa s ILE 94 Cb -0.13 -2.31 0.02 0.00 0.13 0.00 0.00 42.46 40.17 2jqa s ILE 94 CO -0.04 0.51 2.15 -0.81 -1.91 0.00 0.00 174.94 174.84 2jqa n PRO 95 N 3.79 2.76 0.00 3.50 -0.04 -1.26 -4.32 135.00 139.43 2jqa n PRO 95 Ca -0.18 -2.60 0.00 0.00 -0.04 0.00 0.00 63.50 60.67 2jqa n PRO 95 Cb 0.52 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.70 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 6.54 0.00 0.00 0.55 0.00 -1.26 -1.23 120.51 125.11 2jqa n ALA 96 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2jqa n ALA 96 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2jqa n ALA 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jqa n ARG 97 N 0.00 0.00 -2.58 0.00 1.74 -1.26 -4.61 116.66 109.95 2jqa n ARG 97 Ca 0.00 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 2jqa n ARG 97 Cb 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.55 2jqa n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jqa n GLY 98 N 0.00 0.81 3.59 -0.13 0.00 -0.36 -5.04 105.19 104.05 2jqa n GLY 98 Ca 0.00 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.97 5.03 -0.31 2.61 2.01 -1.26 -4.56 115.64 116.19 2jqa s THR 99 Ca 0.64 0.60 -0.06 0.00 0.31 0.00 0.00 61.69 63.18 2jqa s THR 99 Cb -0.04 -3.90 0.02 0.00 0.01 0.00 0.00 72.50 68.59 2jqa s THR 99 CO 0.43 -0.08 0.08 -0.22 -0.69 0.00 0.00 174.62 174.14 2jqa s LEU 100 N 2.37 4.00 0.21 4.42 0.20 -1.26 -4.84 118.68 123.79 2jqa s LEU 100 Ca 0.20 -0.87 0.00 0.00 0.69 0.00 0.00 54.13 54.15 2jqa s LEU 100 Cb -0.15 -1.87 0.00 0.00 -0.43 0.00 0.00 46.19 43.74 2jqa s LEU 100 CO 0.12 -0.24 0.00 1.07 -0.29 0.00 0.00 176.35 177.01 2jqa n THR 101 N 4.84 -2.90 0.00 3.68 5.66 -1.26 -1.97 114.28 122.32 2jqa n THR 101 Ca -0.14 1.06 0.00 0.00 -3.05 0.00 0.00 64.05 61.92 2jqa n THR 101 Cb 0.47 -1.58 0.00 0.00 -1.55 0.00 0.00 70.33 67.67 2jqa n THR 101 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2jqa n LEU 102 N -0.75 0.00 -3.77 1.09 4.77 -0.10 -3.10 117.00 115.15 2jqa n LEU 102 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2jqa n LEU 102 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2jqa n LEU 102 CO 0.00 0.00 0.72 -1.10 -1.33 0.00 0.00 177.39 175.68 2jqa s GLN 103 N 0.51 1.23 0.19 3.23 1.11 0.14 -1.69 119.66 124.37 2jqa s GLN 103 Ca 0.00 -0.69 0.04 0.00 0.01 0.00 0.00 55.36 54.72 2jqa s GLN 103 Cb 0.00 0.41 0.20 0.00 -1.01 0.00 0.00 33.01 32.61 2jqa s GLN 103 CO 0.00 -0.56 0.86 2.89 0.01 0.00 0.00 175.29 178.48 2jqa n ARG 104 N -0.48 0.03 0.30 2.91 1.85 -1.05 -1.07 116.66 119.14 2jqa n ARG 104 Ca -0.06 0.36 0.19 0.00 -1.00 0.00 0.00 57.85 57.34 2jqa n ARG 104 Cb 0.61 -2.05 0.86 0.00 -1.05 0.00 0.00 32.46 30.83 2jqa n ARG 104 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2jqa h ASP 105 N 0.00 0.00 0.00 2.89 3.32 -1.94 -3.45 116.42 117.24 2jqa h ASP 105 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jqa h ASP 105 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 2jqa h ASP 105 CO 0.00 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 2jqa n GLY 106 N -0.35 0.00 3.05 2.75 0.00 -0.33 -5.10 105.19 105.21 2jqa n GLY 106 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.77 0.05 1.61 -1.08 -0.24 -2.23 116.67 114.01 2jqa s ASP 107 Ca 0.00 -0.02 -0.08 0.00 -0.52 0.00 0.00 52.55 51.93 2jqa s ASP 107 Cb 0.00 1.65 0.03 0.00 -1.46 0.00 0.00 42.92 43.14 2jqa s ASP 107 CO 0.00 -0.32 0.38 0.00 0.52 0.00 0.00 175.17 175.75 2jqa n HIS 108 N 5.39 -0.69 -4.43 -5.34 1.44 -0.30 -0.68 115.22 110.61 2jqa n HIS 108 Ca 0.03 -0.39 -0.26 0.00 -2.01 0.00 0.00 57.72 55.09 2jqa n HIS 108 Cb 0.52 0.19 -0.09 0.00 0.12 0.00 0.00 29.99 30.72 2jqa n HIS 108 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 2jqa s VAL 109 N -2.32 2.31 0.01 0.61 -7.23 -1.26 -1.14 120.40 111.38 2jqa s VAL 109 Ca 0.09 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.28 2jqa s VAL 109 Cb -0.01 -2.85 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 2jqa s VAL 109 CO 0.01 -0.11 -0.05 -0.04 -0.31 0.00 0.00 175.10 174.60 2jqa s MET 110 N -3.72 0.38 -0.81 4.82 -1.94 0.80 -2.03 119.30 116.80 2jqa s MET 110 Ca 0.35 -0.35 -0.10 0.00 -1.71 0.00 0.00 55.69 53.88 2jqa s MET 110 Cb 0.04 -0.27 0.21 0.00 2.01 0.00 0.00 34.83 36.82 2jqa s MET 110 CO 0.19 0.06 0.73 -0.51 -0.01 0.00 0.00 175.02 175.48 2jqa s LEU 111 N -0.63 6.25 0.32 -0.03 1.43 0.23 -1.05 118.68 125.21 2jqa s LEU 111 Ca -0.03 -2.91 -0.18 0.00 -1.03 0.00 0.00 54.13 49.98 2jqa s LEU 111 Cb -0.05 -2.10 -0.09 0.00 0.03 0.00 0.00 46.19 43.98 2jqa s LEU 111 CO -0.00 -0.46 0.79 -0.32 0.23 0.00 0.00 176.35 176.59 2jqa s MET 112 N -0.17 4.14 0.00 1.70 1.75 -0.51 -3.37 119.30 122.84 2jqa s MET 112 Ca 0.20 0.84 0.00 0.00 -1.25 0.00 0.00 55.69 55.48 2jqa s MET 112 Cb -0.12 -2.50 0.00 0.00 2.84 0.00 0.00 34.83 35.05 2jqa s MET 112 CO -0.08 0.18 0.00 0.41 -0.65 0.00 0.00 175.02 174.88 2jqa n GLY 113 N -0.13 1.26 6.13 2.11 0.00 0.30 -1.19 105.19 113.67 2jqa n GLY 113 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.00 0.20 0.99 7.94 -1.12 -4.80 117.00 120.21 2jqa n LEU 114 Ca 0.00 0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 2jqa n LEU 114 Cb 0.00 -0.28 0.00 0.00 0.53 0.00 0.00 43.42 43.67 2jqa n LEU 114 CO 0.00 -0.68 0.00 2.29 -1.11 0.00 0.00 177.39 177.89 2jqa n LYS 115 N -0.98 0.00 -4.23 1.96 2.85 -1.26 -4.45 118.16 112.05 2jqa n LYS 115 Ca 0.00 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.91 2jqa n LYS 115 Cb 0.04 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.33 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 -2.00 3.09 0.77 -1.58 0.52 -1.26 -5.12 118.95 113.37 2jqa s ARG 116 Ca 0.00 -0.35 -0.11 0.00 -0.52 0.00 0.00 55.73 54.75 2jqa s ARG 116 Cb 0.00 -2.89 0.05 0.00 0.52 0.00 0.00 34.95 32.64 2jqa s ARG 116 CO 0.00 0.71 1.09 -1.25 0.02 0.00 0.00 175.30 175.87 2jqa s PRO 117 N -1.01 2.28 0.22 3.54 0.04 -1.26 -5.08 135.00 133.74 2jqa s PRO 117 Ca 0.15 1.11 0.09 0.00 0.04 0.00 0.00 61.00 62.39 2jqa s PRO 117 Cb -0.12 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2jqa s PRO 117 CO 0.04 -1.61 -0.02 -0.51 0.04 0.00 0.00 177.00 174.94 2jqa s LEU 118 N -5.89 3.17 -0.01 -3.56 1.43 -1.26 -5.06 118.68 107.50 2jqa s LEU 118 Ca 0.61 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 53.03 2jqa s LEU 118 Cb -0.17 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.30 2jqa s LEU 118 CO 0.56 0.05 0.22 -0.75 0.23 0.00 0.00 176.35 176.66 2jqa s LYS 119 N -3.29 0.55 0.00 1.70 2.20 -1.26 -4.65 119.74 115.00 2jqa s LYS 119 Ca 0.29 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 2jqa s LYS 119 Cb -0.08 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 2jqa s LYS 119 CO 0.18 -0.14 0.42 1.33 -0.36 0.00 0.00 175.35 176.79 2jqa n VAL 120 N 1.48 0.00 -2.08 4.02 0.24 -1.26 -1.44 118.33 119.28 2jqa n VAL 120 Ca -0.22 0.42 0.00 0.00 -2.04 0.00 0.00 64.34 62.51 2jqa n VAL 120 Cb 0.56 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.53 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 -0.91 0.66 3.29 7.63 0.00 -1.14 -3.29 105.19 111.43 2jqa n GLY 121 Ca 0.00 -0.14 -0.14 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 0.77 0.00 1.61 2.12 -0.52 -4.74 118.70 117.94 2jqa s GLU 122 Ca 0.06 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.19 2jqa s GLU 122 Cb 0.06 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.80 2jqa s GLU 122 CO -0.03 -0.23 0.00 2.41 -0.54 0.00 0.00 175.26 176.87 2jqa n THR 123 N 1.03 0.00 -3.99 -1.70 -1.04 -0.76 -0.52 114.28 107.29 2jqa n THR 123 Ca -0.20 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 61.85 2jqa n THR 123 Cb 0.57 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.09 2jqa n THR 123 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2jqa s VAL 124 N -0.33 0.00 -0.46 12.58 0.11 -0.49 -4.99 120.40 126.82 2jqa s VAL 124 Ca 0.00 -0.02 -0.20 0.00 -2.93 0.00 0.00 61.98 58.83 2jqa s VAL 124 Cb 0.00 -2.89 0.03 0.00 -1.53 0.00 0.00 36.38 31.99 2jqa s VAL 124 CO 0.00 0.00 0.62 0.20 -3.33 0.00 0.00 175.10 172.59 2jqa s ASN 125 N -3.88 6.28 0.40 3.54 0.02 -1.26 -1.19 114.94 118.84 2jqa s ASN 125 Ca 0.31 -0.52 -0.24 0.00 -1.02 0.00 0.00 52.86 51.39 2jqa s ASN 125 Cb 0.01 -2.30 -0.09 0.00 0.02 0.00 0.00 41.25 38.88 2jqa s ASN 125 CO -0.03 -0.80 1.01 -0.63 0.02 0.00 0.00 177.10 176.67 2jqa s ILE 126 N 2.73 3.94 -0.25 0.60 -1.09 0.73 -4.89 121.20 122.97 2jqa s ILE 126 Ca 0.20 1.44 0.00 0.00 -2.23 0.00 0.00 60.65 60.06 2jqa s ILE 126 Cb -0.16 -3.72 0.07 0.00 -1.58 0.00 0.00 42.46 37.08 2jqa s ILE 126 CO 0.17 -0.04 0.01 -0.89 -1.23 0.00 0.00 174.94 172.95 2jqa s THR 127 N -1.76 1.29 0.75 2.92 2.01 -0.46 -0.94 115.64 119.45 2jqa s THR 127 Ca 0.58 -1.26 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 2jqa s THR 127 Cb -0.19 -1.73 0.15 0.00 0.01 0.00 0.00 72.50 70.75 2jqa s THR 127 CO 0.24 -0.30 1.03 0.18 -0.69 0.00 0.00 174.62 175.07 2jqa n LEU 128 N 4.73 0.00 -3.70 4.42 4.32 0.23 -0.92 117.00 126.08 2jqa n LEU 128 Ca -0.08 -2.01 -0.12 0.00 -0.02 0.00 0.00 56.01 53.78 2jqa n LEU 128 Cb 0.44 -0.68 -0.10 0.00 -1.62 0.00 0.00 43.42 41.46 2jqa n LEU 128 CO 0.16 -1.04 0.13 -0.75 -1.22 0.00 0.00 177.39 174.68 2jqa s LYS 129 N -5.17 0.51 -0.05 3.23 2.20 -1.23 -0.37 119.74 118.87 2jqa s LYS 129 Ca 0.67 0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 56.71 2jqa s LYS 129 Cb -0.04 0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.41 2jqa s LYS 129 CO 0.44 -0.10 1.22 0.00 -0.36 0.00 0.00 175.35 176.55 2jqa s ALA 130 N 0.71 3.50 0.50 3.13 0.00 -0.23 -0.89 121.76 128.49 2jqa s ALA 130 Ca -0.04 0.66 0.16 0.00 0.00 0.00 0.00 51.96 52.73 2jqa s ALA 130 Cb -0.05 -3.52 1.21 0.00 0.00 0.00 0.00 23.12 20.76 2jqa s ALA 130 CO -0.05 -0.76 2.11 0.00 0.00 0.00 0.00 175.76 177.06 2jqa h THR 131 N 4.98 1.03 -0.08 0.00 1.03 -1.88 -0.34 112.91 117.66 2jqa h THR 131 Ca -0.35 -0.14 0.00 0.00 -0.01 0.00 0.00 66.41 65.91 2jqa h THR 131 Cb 1.16 1.08 0.00 0.00 -1.07 0.00 0.00 68.15 69.32 2jqa h THR 131 CO 0.88 0.04 0.00 0.47 -0.01 0.00 0.00 175.52 176.90 2jqa n ASP 132 N -4.49 2.13 0.01 0.00 8.00 -1.26 -4.95 116.55 115.99 2jqa n ASP 132 Ca -0.03 -1.90 -0.01 0.00 0.71 0.00 0.00 54.79 53.56 2jqa n ASP 132 Cb 0.13 -0.05 -0.00 0.00 -0.02 0.00 0.00 41.12 41.17 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 -0.19 -0.07 0.00 0.44 0.00 -0.16 -5.16 105.19 100.06 2jqa n GLY 133 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jqa n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jqa n ARG 134 N -2.94 0.00 -1.86 1.61 5.12 -1.10 -4.98 116.66 112.51 2jqa n ARG 134 Ca -0.01 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.55 2jqa n ARG 134 Cb 0.04 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.39 2jqa n ARG 134 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2jqa s THR 135 N -1.77 2.38 -0.05 0.55 2.01 -1.26 -1.07 115.64 116.42 2jqa s THR 135 Ca 0.00 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.23 2jqa s THR 135 Cb 0.00 -3.07 0.02 0.00 0.01 0.00 0.00 72.50 69.47 2jqa s THR 135 CO 0.00 -0.06 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.63 2jqa s LEU 136 N -4.27 1.06 -0.21 4.42 2.96 0.51 -4.90 118.68 118.23 2jqa s LEU 136 Ca 0.79 -0.11 -0.15 0.00 -0.22 0.00 0.00 54.13 54.45 2jqa s LEU 136 Cb -0.33 -0.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.89 2jqa s LEU 136 CO 0.37 -0.11 0.36 0.54 -1.32 0.00 0.00 176.35 176.18 2jqa s ASN 137 N 1.31 6.37 -0.02 3.68 2.20 -1.26 -0.60 114.94 126.61 2jqa s ASN 137 Ca -0.05 0.43 -0.01 0.00 -0.94 0.00 0.00 52.86 52.29 2jqa s ASN 137 Cb -0.13 -2.21 0.01 0.00 -2.00 0.00 0.00 41.25 36.92 2jqa s ASN 137 CO -0.02 -0.06 0.03 -0.69 -2.94 0.00 0.00 177.10 173.42 2jqa s VAL 138 N 1.34 -0.02 0.44 3.54 1.01 -0.12 -5.02 120.40 121.57 2jqa s VAL 138 Ca 0.17 0.07 -0.23 0.00 0.00 0.00 0.00 61.98 61.99 2jqa s VAL 138 Cb -0.15 -0.06 -0.09 0.00 0.00 0.00 0.00 36.38 36.09 2jqa s VAL 138 CO 0.07 0.03 1.06 0.00 0.00 0.00 0.00 175.10 176.27 2jqa s ALA 139 N 0.37 3.00 -0.06 5.51 0.00 -1.26 -0.19 121.76 129.13 2jqa s ALA 139 Ca -0.03 0.71 -0.14 0.00 0.00 0.00 0.00 51.96 52.50 2jqa s ALA 139 Cb -0.04 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.82 2jqa s ALA 139 CO -0.01 -0.32 0.34 0.00 0.00 0.00 0.00 175.76 175.77 2jqa s ALA 140 N -1.74 -0.85 -0.10 0.00 0.00 -0.33 -4.67 121.76 114.06 2jqa s ALA 140 Ca 0.62 0.59 -0.07 0.00 0.00 0.00 0.00 51.96 53.10 2jqa s ALA 140 Cb -0.21 -0.16 0.04 0.00 0.00 0.00 0.00 23.12 22.79 2jqa s ALA 140 CO 0.26 -0.23 0.25 0.99 0.00 0.00 0.00 175.76 177.03 2jqa s THR 141 N -0.80 -0.03 0.30 0.00 2.01 -0.73 -1.40 115.64 115.00 2jqa s THR 141 Ca -0.09 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 2jqa s THR 141 Cb -0.04 -0.38 -0.11 0.00 0.01 0.00 0.00 72.50 71.98 2jqa s THR 141 CO 0.03 0.04 1.45 -0.69 -0.69 0.00 0.00 174.62 174.76 2jqa s VAL 142 N 0.88 2.44 -0.11 3.82 1.01 0.32 -0.66 120.40 128.11 2jqa s VAL 142 Ca -0.06 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2jqa s VAL 142 Cb -0.07 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.08 2jqa s VAL 142 CO -0.06 0.07 -0.10 -0.75 0.00 0.00 0.00 175.10 174.27 2jqa s LYS 143 N -0.99 1.71 -0.15 2.72 2.20 -1.18 -2.89 119.74 121.17 2jqa s LYS 143 Ca 0.57 -0.35 -0.36 0.00 -0.36 0.00 0.00 55.97 55.47 2jqa s LYS 143 Cb -0.43 -1.63 -0.13 0.00 -1.51 0.00 0.00 37.83 34.12 2jqa s LYS 143 CO 0.50 -0.18 1.83 0.36 -0.36 0.00 0.00 175.35 177.50 2jqa n LYS 144 N 4.62 1.85 -2.13 4.03 0.00 -1.21 -4.84 118.16 120.48 2jqa n LYS 144 Ca -0.16 0.68 -0.02 0.00 -0.00 0.00 0.00 58.31 58.81 2jqa n LYS 144 Cb 0.50 -2.47 0.07 0.00 -0.00 0.00 0.00 35.03 33.14 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 6.19 -0.90 0.00 -5.58 4.05 -1.26 -5.04 115.26 112.71 2jqa n ASN 145 Ca 0.24 -1.73 0.00 0.00 0.45 0.00 0.00 54.58 53.54 2jqa n ASN 145 Cb 0.24 0.42 0.00 0.00 1.23 0.00 0.00 39.78 41.67 2jqa n ASN 145 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2jqa n ILE 146 N -0.91 0.00 -3.76 -1.44 3.06 -1.26 -5.09 119.36 109.97 2jqa n ILE 146 Ca -0.12 0.00 -0.29 0.00 -2.50 0.00 0.00 62.75 59.85 2jqa n ILE 146 Cb 0.72 0.00 0.02 0.00 0.54 0.00 0.00 39.64 40.93 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 -1.22 -2.24 0.00 9.51 2.13 -1.26 -4.93 120.64 122.62 2jqa n GLU 147 Ca 0.00 0.46 0.12 0.00 0.66 0.00 0.00 57.16 58.40 2jqa n GLU 147 Cb 0.00 -4.36 0.11 0.00 0.27 0.00 0.00 31.44 27.46 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 -1.76 0.42 0.00 8.31 0.00 -1.26 -5.16 105.19 105.74 2jqa n GLY 148 Ca -0.18 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2jqa n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19