#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqa n GLY 2 N 0.00 2.50 3.33 3.03 0.00 -1.26 -5.13 105.19 107.67 2jqa n GLY 2 Ca 0.00 -1.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.45 1.62 0.36 1.61 4.02 -1.26 -5.18 115.29 114.01 2jqa s HIS 3 Ca 0.00 -0.69 -0.04 0.00 1.02 0.00 0.00 55.06 55.35 2jqa s HIS 3 Cb 0.00 -0.83 0.08 0.00 -1.02 0.00 0.00 32.58 30.81 2jqa s HIS 3 CO 0.00 0.22 0.49 -2.37 1.02 0.00 0.00 174.74 174.09 2jqa n THR 4 N -0.38 0.00 -4.10 1.30 5.66 -1.26 -5.14 114.28 110.36 2jqa n THR 4 Ca -0.08 -0.50 -0.18 0.00 -3.05 0.00 0.00 64.05 60.24 2jqa n THR 4 Cb 0.61 -1.55 -0.16 0.00 -1.55 0.00 0.00 70.33 67.69 2jqa n THR 4 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 2jqa s MET 5 N -3.90 0.60 0.21 1.09 -2.45 -1.26 -5.08 119.30 108.51 2jqa s MET 5 Ca 0.29 -0.07 0.04 0.00 -1.25 0.00 0.00 55.69 54.70 2jqa s MET 5 Cb -0.01 -0.64 0.15 0.00 1.25 0.00 0.00 34.83 35.58 2jqa s MET 5 CO 0.20 -0.05 1.49 -1.00 1.05 0.00 0.00 175.02 176.71 2jqa h PRO 6 N 6.95 0.22 -2.04 4.11 0.13 -2.10 -3.49 132.00 135.77 2jqa h PRO 6 Ca -0.38 -0.18 0.23 0.00 -0.87 0.00 0.00 66.00 64.80 2jqa h PRO 6 Cb 1.15 0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 2jqa h PRO 6 CO 0.48 0.84 -0.51 0.00 -0.23 0.00 0.00 178.00 178.58 2jqa n ALA 7 N -2.47 -2.30 -3.64 -0.56 0.00 -1.26 -5.11 120.51 105.17 2jqa n ALA 7 Ca -0.03 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2jqa n ALA 7 Cb 0.69 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 19.27 2jqa n ALA 7 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2jqa s HIS 8 N -2.56 -0.07 -0.29 0.00 -3.43 -1.26 -5.19 115.29 102.49 2jqa s HIS 8 Ca 0.00 -0.07 -0.28 0.00 -0.80 0.00 0.00 55.06 53.91 2jqa s HIS 8 Cb 0.00 0.56 0.19 0.00 -1.43 0.00 0.00 32.58 31.90 2jqa s HIS 8 CO 0.00 -0.38 1.38 -0.08 -2.00 0.00 0.00 174.74 173.66 2jqa s THR 9 N -2.60 0.00 0.68 -5.38 -1.32 -1.26 -5.17 115.64 100.59 2jqa s THR 9 Ca 0.13 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.46 2jqa s THR 9 Cb 0.03 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.03 2jqa s THR 9 CO -0.03 0.00 1.13 -2.16 -2.21 0.00 0.00 174.62 171.35 2jqa s PRO 10 N -0.73 2.62 0.61 7.08 0.04 -1.26 -5.04 135.00 138.32 2jqa s PRO 10 Ca 0.08 1.48 -0.15 0.00 0.04 0.00 0.00 61.00 62.45 2jqa s PRO 10 Cb -0.02 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 2jqa s PRO 10 CO -0.10 -1.41 1.06 -1.25 0.04 0.00 0.00 177.00 175.34 2jqa s PRO 11 N -4.06 3.22 0.00 0.56 0.04 -1.26 -4.96 135.00 128.54 2jqa s PRO 11 Ca 0.69 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2jqa s PRO 11 Cb -0.23 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2jqa s PRO 11 CO 0.43 -0.89 0.00 0.00 0.04 0.00 0.00 177.00 176.58 2jqa n ALA 12 N -2.21 0.00 0.00 8.56 0.00 -1.26 -5.02 120.51 120.58 2jqa n ALA 12 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2jqa n ALA 12 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2jqa n ALA 12 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2jqa n GLN 13 N -0.58 0.00 -2.50 0.00 7.27 -1.26 -4.20 117.38 116.11 2jqa n GLN 13 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.93 2jqa n GLN 13 Cb 0.00 0.00 0.03 0.00 2.41 0.00 0.00 30.24 32.68 2jqa n GLN 13 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2jqa n THR 14 N 0.00 1.77 -3.43 1.69 -2.24 -1.26 -4.97 114.28 105.84 2jqa n THR 14 Ca 0.00 -3.72 -0.19 0.00 -2.27 0.00 0.00 64.05 57.87 2jqa n THR 14 Cb 0.00 -0.03 -0.11 0.00 -2.10 0.00 0.00 70.33 68.09 2jqa n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jqa s ALA 15 N -3.54 -0.29 0.33 6.98 0.00 -1.26 -5.17 121.76 118.80 2jqa s ALA 15 Ca 0.38 -0.29 -0.04 0.00 0.00 0.00 0.00 51.96 52.01 2jqa s ALA 15 Cb 0.39 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.81 2jqa s ALA 15 CO -0.03 -1.60 0.59 -1.25 0.00 0.00 0.00 175.76 173.46 2jqa s PRO 16 N 2.32 3.60 -0.19 0.00 0.04 -1.26 -4.90 135.00 134.62 2jqa s PRO 16 Ca 0.09 -0.01 -0.04 0.00 0.04 0.00 0.00 61.00 61.07 2jqa s PRO 16 Cb -0.15 -2.61 0.09 0.00 0.04 0.00 0.00 34.50 31.88 2jqa s PRO 16 CO -0.29 0.15 0.28 0.00 0.04 0.00 0.00 177.00 177.18 2jqa s ALA 17 N -2.21 -0.61 0.00 8.56 0.00 -1.26 -5.06 121.76 121.18 2jqa s ALA 17 Ca 0.44 0.72 0.00 0.00 0.00 0.00 0.00 51.96 53.12 2jqa s ALA 17 Cb -0.10 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.72 2jqa s ALA 17 CO 0.33 -0.99 0.00 0.00 0.00 0.00 0.00 175.76 175.10 2jqa n ALA 18 N 5.35 0.00 0.04 0.00 0.00 -1.26 -5.13 120.51 119.50 2jqa n ALA 18 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.38 2jqa n ALA 18 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 2jqa n ALA 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jqa n GLN 19 N 0.00 0.03 -0.79 0.00 3.00 -1.26 -5.14 117.38 113.21 2jqa n GLN 19 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2jqa n GLN 19 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 30.24 29.71 2jqa n GLN 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2jqa n LYS 20 N -3.51 0.00 -4.64 -1.09 4.81 -1.26 -5.18 118.16 107.29 2jqa n LYS 20 Ca -0.01 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 2jqa n LYS 20 Cb 0.03 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.97 2jqa n LYS 20 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jqa s ALA 21 N -1.05 3.28 0.00 3.14 0.00 -1.26 -5.14 121.76 120.74 2jqa s ALA 21 Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 51.96 49.89 2jqa s ALA 21 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.27 2jqa s ALA 21 CO 0.00 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.06 2jqa n GLY 22 N -1.01 3.49 0.07 0.00 0.00 -1.26 -5.13 105.19 101.35 2jqa n GLY 22 Ca -0.07 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 0.00 0.00 4.61 0.00 -1.26 -5.09 120.51 118.77 2jqa n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jqa n ALA 23 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jqa n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jqa n GLN 24 N -2.22 0.00 -3.41 0.00 6.02 -1.26 -4.48 117.38 112.02 2jqa n GLN 24 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 2jqa n GLN 24 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 2jqa n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jqa s ALA 25 N 0.00 -2.43 0.25 -1.58 0.00 -1.26 -5.19 121.76 111.55 2jqa s ALA 25 Ca 0.00 2.05 0.00 0.00 0.00 0.00 0.00 51.96 54.02 2jqa s ALA 25 Cb 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 2jqa s ALA 25 CO 0.00 -1.08 0.44 -0.51 0.00 0.00 0.00 175.76 174.61 2jqa s LEU 26 N 2.77 4.17 -0.67 0.00 1.43 -1.26 -5.00 118.68 120.12 2jqa s LEU 26 Ca 0.02 0.39 -0.06 0.00 -1.03 0.00 0.00 54.13 53.44 2jqa s LEU 26 Cb -0.11 -3.19 -0.13 0.00 0.03 0.00 0.00 46.19 42.79 2jqa s LEU 26 CO -0.18 -0.13 2.69 -0.81 0.23 0.00 0.00 176.35 178.15 2jqa n PRO 27 N -1.10 2.23 -3.98 1.29 -0.04 -1.26 -4.79 135.00 127.35 2jqa n PRO 27 Ca -0.05 -1.32 -0.16 0.00 -0.04 0.00 0.00 63.50 61.93 2jqa n PRO 27 Cb 0.55 -2.27 -0.16 0.00 -0.04 0.00 0.00 33.50 31.58 2jqa n PRO 27 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jqa s VAL 28 N 2.20 0.22 -1.07 0.52 1.01 -1.26 -4.67 120.40 117.35 2jqa s VAL 28 Ca 0.52 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 62.31 2jqa s VAL 28 Cb 0.19 -0.27 0.09 0.00 0.00 0.00 0.00 36.38 36.38 2jqa s VAL 28 CO -0.02 0.13 1.42 0.42 0.00 0.00 0.00 175.10 177.04 2jqa s THR 29 N 0.70 4.29 0.10 3.92 -4.23 -1.26 -5.00 115.64 114.15 2jqa s THR 29 Ca -0.07 -1.39 -0.26 0.00 -1.18 0.00 0.00 61.69 58.80 2jqa s THR 29 Cb -0.10 -5.00 -0.06 0.00 1.34 0.00 0.00 72.50 68.68 2jqa s THR 29 CO -0.01 -1.81 0.79 0.54 -0.54 0.00 0.00 174.62 173.59 2jqa s VAL 30 N 3.88 4.58 -0.78 2.29 0.11 -1.26 -3.34 120.40 125.87 2jqa s VAL 30 Ca 0.44 1.71 -0.27 0.00 -2.93 0.00 0.00 61.98 60.92 2jqa s VAL 30 Cb -0.01 -4.15 -0.16 0.00 -1.53 0.00 0.00 36.38 30.53 2jqa s VAL 30 CO -0.05 0.42 2.53 0.00 -3.33 0.00 0.00 175.10 174.66 2jqa n GLN 31 N 2.37 0.45 -1.25 1.54 10.64 -1.08 -4.84 117.38 125.21 2jqa n GLN 31 Ca -0.03 -0.06 -0.37 0.00 -1.83 0.00 0.00 57.00 54.72 2jqa n GLN 31 Cb 0.50 -2.39 -0.02 0.00 -0.86 0.00 0.00 30.24 27.46 2jqa n GLN 31 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jqa n GLY 32 N 6.25 3.69 3.51 2.61 0.00 -1.26 -4.89 105.19 115.10 2jqa n GLY 32 Ca 0.53 -1.32 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 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 5.19 0.64 -2.68 4.61 0.00 -1.26 -4.81 120.51 122.20 2jqa n ALA 33 Ca 0.57 -0.56 -0.39 0.00 0.00 0.00 0.00 53.44 53.06 2jqa n ALA 33 Cb 0.28 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.26 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 6.05 5.13 0.33 0.00 2.01 -1.23 -3.67 115.64 124.26 2jqa s THR 34 Ca 1.31 0.97 -0.18 0.00 0.31 0.00 0.00 61.69 64.10 2jqa s THR 34 Cb -1.00 -3.84 -0.09 0.00 0.01 0.00 0.00 72.50 67.57 2jqa s THR 34 CO 0.49 0.22 0.80 -0.69 -0.69 0.00 0.00 174.62 174.76 2jqa s VAL 35 N 1.31 4.55 -0.23 3.82 1.01 -1.19 -0.49 120.40 129.18 2jqa s VAL 35 Ca 0.25 1.21 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 2jqa s VAL 35 Cb -0.15 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2jqa s VAL 35 CO 0.10 -0.12 1.64 0.00 0.00 0.00 0.00 175.10 176.72 2jqa s ALA 36 N -1.92 3.24 0.44 5.51 0.00 0.54 -3.14 121.76 126.43 2jqa s ALA 36 Ca 0.54 0.46 -0.26 0.00 0.00 0.00 0.00 51.96 52.70 2jqa s ALA 36 Cb -0.12 -3.87 -0.09 0.00 0.00 0.00 0.00 23.12 19.05 2jqa s ALA 36 CO 0.18 -2.00 1.40 0.00 0.00 0.00 0.00 175.76 175.33 2jqa n ALA 37 N 8.60 1.91 -2.85 0.00 0.00 -0.33 -4.64 120.51 123.19 2jqa n ALA 37 Ca 0.19 0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.80 2jqa n ALA 37 Cb 0.45 -2.37 -0.10 0.00 0.00 0.00 0.00 19.45 17.44 2jqa n ALA 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jqa s VAL 38 N -1.18 0.12 0.98 0.00 -7.23 -1.26 -4.54 120.40 107.28 2jqa s VAL 38 Ca 0.60 -0.96 -0.12 0.00 -1.81 0.00 0.00 61.98 59.69 2jqa s VAL 38 Cb -0.47 -0.71 0.18 0.00 0.56 0.00 0.00 36.38 35.93 2jqa s VAL 38 CO 0.58 -0.53 1.10 -2.16 -0.31 0.00 0.00 175.10 173.79 2jqa s PRO 39 N -2.17 0.61 0.83 4.82 0.04 -1.26 -4.41 135.00 133.46 2jqa s PRO 39 Ca -0.09 0.46 -0.10 0.00 0.04 0.00 0.00 61.00 61.31 2jqa s PRO 39 Cb -0.04 -1.76 0.09 0.00 0.04 0.00 0.00 34.50 32.84 2jqa s PRO 39 CO -0.03 -2.60 1.11 -1.25 0.04 0.00 0.00 177.00 174.28 2jqa s PRO 40 N -5.04 1.73 -0.30 0.56 0.04 -1.26 -3.94 135.00 126.78 2jqa s PRO 40 Ca 0.65 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2jqa s PRO 40 Cb -0.18 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2jqa s PRO 40 CO 0.56 -2.04 0.00 0.45 0.04 0.00 0.00 177.00 176.01 2jqa n SER 41 N -3.80 -2.53 -4.39 6.66 2.88 -1.26 -5.06 113.62 106.11 2jqa n SER 41 Ca 0.10 0.04 -0.21 0.00 -1.33 0.00 0.00 58.87 57.46 2jqa n SER 41 Cb 0.53 -1.16 -0.10 0.00 -0.75 0.00 0.00 64.21 62.72 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 -2.14 2.03 0.00 2.46 -1.09 -1.25 -5.07 121.20 116.14 2jqa s ILE 42 Ca 0.00 -2.20 0.00 0.00 -2.23 0.00 0.00 60.65 56.22 2jqa s ILE 42 Cb 0.00 -2.09 0.00 0.00 -1.58 0.00 0.00 42.46 38.79 2jqa s ILE 42 CO 0.00 -0.45 0.77 -2.11 -1.23 0.00 0.00 174.94 171.93 2jqa n ARG 43 N -0.28 0.00 -3.88 2.79 1.85 -1.26 -4.16 116.66 111.72 2jqa n ARG 43 Ca -0.08 -0.65 -0.11 0.00 -1.00 0.00 0.00 57.85 56.01 2jqa n ARG 43 Cb 0.59 -0.36 -0.10 0.00 -1.05 0.00 0.00 32.46 31.55 2jqa n ARG 43 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2jqa s ASP 44 N -0.59 0.07 0.01 2.89 1.01 -1.26 -0.78 116.67 118.02 2jqa s ASP 44 Ca 0.00 -0.30 -0.11 0.00 0.71 0.00 0.00 52.55 52.85 2jqa s ASP 44 Cb 0.00 0.21 0.04 0.00 1.01 0.00 0.00 42.92 44.18 2jqa s ASP 44 CO 0.00 -0.42 0.49 1.07 0.21 0.00 0.00 175.17 176.52 2jqa n THR 45 N 1.23 0.00 -3.86 -1.27 5.66 -1.25 -4.96 114.28 109.82 2jqa n THR 45 Ca -0.22 -0.11 -0.09 0.00 -3.05 0.00 0.00 64.05 60.59 2jqa n THR 45 Cb 0.56 0.25 -0.04 0.00 -1.55 0.00 0.00 70.33 69.56 2jqa n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jqa s ALA 46 N -1.41 -0.68 -0.01 1.79 0.00 -1.26 -0.75 121.76 119.44 2jqa s ALA 46 Ca 0.11 -0.51 0.05 0.00 0.00 0.00 0.00 51.96 51.62 2jqa s ALA 46 Cb -0.01 0.93 -0.01 0.00 0.00 0.00 0.00 23.12 24.03 2jqa s ALA 46 CO 0.00 -0.85 -0.17 0.00 0.00 0.00 0.00 175.76 174.75 2jqa s ALA 47 N -3.94 1.40 -0.22 0.00 0.00 0.04 -0.34 121.76 118.71 2jqa s ALA 47 Ca 0.15 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 2jqa s ALA 47 Cb -0.01 -0.35 0.06 0.00 0.00 0.00 0.00 23.12 22.82 2jqa s ALA 47 CO 0.03 0.34 -0.01 0.71 0.00 0.00 0.00 175.76 176.83 2jqa s TYR 48 N -0.43 1.83 0.18 0.00 1.51 0.35 -3.59 117.35 117.21 2jqa s TYR 48 Ca 0.06 -1.40 -0.17 0.00 -1.01 0.00 0.00 57.07 54.55 2jqa s TYR 48 Cb -0.07 -1.37 0.03 0.00 -0.11 0.00 0.00 41.96 40.45 2jqa s TYR 48 CO -0.00 -0.71 0.51 0.00 -1.11 0.00 0.00 175.55 174.23 2jqa s MET 49 N 1.59 1.34 -0.02 -0.62 0.23 -0.25 -3.56 119.30 118.00 2jqa s MET 49 Ca -0.03 -0.83 0.06 0.00 -1.03 0.00 0.00 55.69 53.86 2jqa s MET 49 Cb -0.18 0.52 -0.02 0.00 -1.53 0.00 0.00 34.83 33.61 2jqa s MET 49 CO -0.07 -0.56 -0.20 0.95 -2.03 0.00 0.00 175.02 173.10 2jqa s THR 50 N -3.86 2.57 0.60 3.16 -4.23 -1.26 -1.35 115.64 111.26 2jqa s THR 50 Ca 0.08 -0.99 0.10 0.00 -1.18 0.00 0.00 61.69 59.70 2jqa s THR 50 Cb -0.01 -1.98 0.10 0.00 1.34 0.00 0.00 72.50 71.95 2jqa s THR 50 CO -0.04 0.53 0.81 -0.22 -0.54 0.00 0.00 174.62 175.16 2jqa s LEU 51 N -0.84 3.01 -0.09 4.79 0.20 -1.24 -2.64 118.68 121.86 2jqa s LEU 51 Ca 0.11 -0.93 -0.30 0.00 0.69 0.00 0.00 54.13 53.71 2jqa s LEU 51 Cb -0.10 -1.46 0.12 0.00 -0.43 0.00 0.00 46.19 44.31 2jqa s LEU 51 CO 0.01 -1.42 0.96 0.28 -0.29 0.00 0.00 176.35 175.88 2jqa s THR 52 N -2.72 0.00 -0.06 3.68 -1.32 -1.21 -4.74 115.64 109.28 2jqa s THR 52 Ca 0.62 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 61.14 2jqa s THR 52 Cb -0.05 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.94 2jqa s THR 52 CO 0.39 0.00 -0.19 0.20 -2.21 0.00 0.00 174.62 172.81 2jqa s ASN 53 N -1.75 2.39 -0.09 8.08 0.01 -1.26 -4.70 114.94 117.62 2jqa s ASN 53 Ca 0.02 -0.40 0.12 0.00 -0.71 0.00 0.00 52.86 51.89 2jqa s ASN 53 Cb -0.01 -0.79 0.19 0.00 0.41 0.00 0.00 41.25 41.05 2jqa s ASN 53 CO -0.03 0.15 1.08 1.17 -1.51 0.00 0.00 177.10 177.96 2jqa n LYS 54 N 3.26 1.17 -4.03 -0.60 4.81 -1.26 -4.97 118.16 116.53 2jqa n LYS 54 Ca -0.19 -2.07 -0.14 0.00 -0.87 0.00 0.00 58.31 55.04 2jqa n LYS 54 Cb 0.53 -1.21 -0.03 0.00 0.02 0.00 0.00 35.03 34.34 2jqa n LYS 54 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2jqa s SER 55 N -2.20 0.79 0.00 3.14 0.01 -1.26 -5.08 113.70 109.11 2jqa s SER 55 Ca 0.21 -1.44 -0.02 0.00 1.31 0.00 0.00 55.95 56.01 2jqa s SER 55 Cb 0.18 0.71 -0.07 0.00 0.21 0.00 0.00 66.02 67.05 2jqa s SER 55 CO 0.02 -1.39 1.87 -0.90 0.41 0.00 0.00 173.24 173.25 2jqa n ASP 56 N -1.47 3.66 -3.94 2.44 5.75 -1.26 -4.77 116.55 116.96 2jqa n ASP 56 Ca -0.01 -2.05 -0.30 0.00 -0.01 0.00 0.00 54.79 52.42 2jqa n ASP 56 Cb 0.61 -0.86 -0.10 0.00 -1.03 0.00 0.00 41.12 39.74 2jqa n ASP 56 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jqa n GLN 57 N 2.04 2.11 -2.35 0.11 1.13 -1.26 -4.99 117.38 114.17 2jqa n GLN 57 Ca 0.11 -4.50 -0.42 0.00 -1.94 0.00 0.00 57.00 50.26 2jqa n GLN 57 Cb 0.46 -2.32 -0.01 0.00 0.11 0.00 0.00 30.24 28.48 2jqa n GLN 57 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2jqa n PRO 58 N 1.99 2.97 -2.87 -1.09 -0.04 -1.26 -4.36 135.00 130.34 2jqa n PRO 58 Ca 0.21 -3.06 -0.42 0.00 -0.04 0.00 0.00 63.50 60.20 2jqa n PRO 58 Cb 0.36 -3.47 -0.04 0.00 -0.04 0.00 0.00 33.50 30.31 2jqa n PRO 58 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2jqa s ILE 59 N 4.59 4.85 -1.18 0.52 -1.09 -0.94 -4.84 121.20 123.11 2jqa s ILE 59 Ca 0.54 1.65 -0.19 0.00 -2.23 0.00 0.00 60.65 60.42 2jqa s ILE 59 Cb 0.06 -4.15 0.07 0.00 -1.58 0.00 0.00 42.46 36.86 2jqa s ILE 59 CO 0.05 -0.01 1.59 -0.54 -1.23 0.00 0.00 174.94 174.80 2jqa s LYS 60 N 2.39 3.84 0.06 2.79 3.01 -1.25 -0.91 119.74 129.67 2jqa s LYS 60 Ca 0.38 -1.72 -0.23 0.00 -1.01 0.00 0.00 55.97 53.39 2jqa s LYS 60 Cb -0.16 -5.42 -0.06 0.00 -1.01 0.00 0.00 37.83 31.18 2jqa s LYS 60 CO 0.11 -2.19 0.68 -1.17 0.51 0.00 0.00 175.35 173.29 2jqa s LEU 61 N 4.25 4.48 -0.02 3.17 1.98 -1.15 -1.14 118.68 130.26 2jqa s LEU 61 Ca 0.50 1.36 0.16 0.00 -2.89 0.00 0.00 54.13 53.26 2jqa s LEU 61 Cb 0.02 -3.09 -0.23 0.00 0.66 0.00 0.00 46.19 43.55 2jqa s LEU 61 CO 0.00 0.13 0.42 1.33 -1.89 0.00 0.00 176.35 176.34 2jqa n VAL 62 N 2.34 0.00 0.00 1.68 0.24 -1.24 -0.83 118.33 120.52 2jqa n VAL 62 Ca -0.06 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 2jqa n VAL 62 Cb 0.50 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 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 1.55 -0.03 2.77 7.63 0.00 -1.26 -3.70 105.19 112.14 2jqa n GLY 63 Ca -0.02 -1.32 -0.28 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.95 1.17 0.27 4.61 0.00 -1.26 -3.83 121.76 120.77 2jqa s ALA 64 Ca 0.00 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.20 2jqa s ALA 64 Cb 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 2jqa s ALA 64 CO 0.00 -1.18 0.39 0.00 0.00 0.00 0.00 175.76 174.98 2jqa s ALA 65 N 1.78 4.00 -0.21 0.00 0.00 0.46 -4.91 121.76 122.87 2jqa s ALA 65 Ca -0.02 -1.28 -0.27 0.00 0.00 0.00 0.00 51.96 50.40 2jqa s ALA 65 Cb -0.17 -1.73 0.08 0.00 0.00 0.00 0.00 23.12 21.30 2jqa s ALA 65 CO -0.08 0.16 0.75 -0.08 0.00 0.00 0.00 175.76 176.52 2jqa s THR 66 N -2.04 0.00 -2.08 0.00 -1.32 -1.26 -0.87 115.64 108.08 2jqa s THR 66 Ca 0.37 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.98 2jqa s THR 66 Cb -0.09 -1.00 0.34 0.00 -1.51 0.00 0.00 72.50 70.24 2jqa s THR 66 CO 0.30 0.00 1.40 -0.81 -2.21 0.00 0.00 174.62 173.30 2jqa n PRO 67 N 2.14 1.40 0.24 7.08 -0.04 -1.26 -4.43 135.00 140.12 2jqa n PRO 67 Ca -0.15 -0.62 0.07 0.00 -0.04 0.00 0.00 63.50 62.77 2jqa n PRO 67 Cb 0.56 -1.25 0.57 0.00 -0.04 0.00 0.00 33.50 33.34 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 1.12 0.00 -9.27 1.53 4.07 -1.97 -3.44 115.31 107.36 2jqa h LEU 68 Ca 0.00 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.35 2jqa h LEU 68 Cb 0.25 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 41.85 2jqa h LEU 68 CO 0.00 0.17 -0.74 0.00 -1.08 0.00 0.00 178.44 176.78 2jqa s ALA 69 N -4.51 2.83 0.12 1.53 0.00 -1.26 -3.96 121.76 116.51 2jqa s ALA 69 Ca -0.04 -1.69 0.22 0.00 0.00 0.00 0.00 51.96 50.45 2jqa s ALA 69 Cb 0.15 -0.49 0.77 0.00 0.00 0.00 0.00 23.12 23.55 2jqa s ALA 69 CO 0.66 0.35 1.76 1.15 0.00 0.00 0.00 175.76 179.69 2jqa h THR 70 N 2.51 0.68 -2.67 0.00 2.02 -1.37 -3.36 112.91 110.71 2jqa h THR 70 Ca -0.44 -1.33 -0.60 0.00 0.77 0.00 0.00 66.41 64.82 2jqa h THR 70 Cb 1.23 1.87 -0.39 0.00 -1.74 0.00 0.00 68.15 69.12 2jqa h THR 70 CO 0.56 0.28 -0.83 -0.55 0.37 0.00 0.00 175.52 175.36 2jqa s SER 71 N -6.29 2.80 0.11 4.18 0.15 -0.96 -5.07 113.70 108.62 2jqa s SER 71 Ca 0.01 -2.97 -0.31 0.00 0.70 0.00 0.00 55.95 53.37 2jqa s SER 71 Cb 0.10 -0.79 -0.08 0.00 -1.71 0.00 0.00 66.02 63.55 2jqa s SER 71 CO 0.66 -0.20 1.37 -2.16 1.20 0.00 0.00 173.24 174.12 2jqa s PRO 72 N 0.00 4.33 0.01 5.44 0.04 -1.26 -2.94 135.00 140.62 2jqa s PRO 72 Ca 0.26 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.34 2jqa s PRO 72 Cb -0.08 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 2jqa s PRO 72 CO -0.11 -0.42 -0.00 1.41 0.04 0.00 0.00 177.00 177.91 2jqa s MET 73 N 1.09 0.22 -0.02 4.56 1.75 -0.60 -5.00 119.30 121.30 2jqa s MET 73 Ca 0.64 -0.38 0.01 0.00 -1.25 0.00 0.00 55.69 54.71 2jqa s MET 73 Cb -0.36 0.08 0.01 0.00 2.84 0.00 0.00 34.83 37.40 2jqa s MET 73 CO 0.30 -0.04 -0.04 -0.48 -0.65 0.00 0.00 175.02 174.12 2jqa s LEU 74 N -0.95 1.68 0.04 4.11 0.05 -1.26 -0.22 118.68 122.12 2jqa s LEU 74 Ca -0.10 -0.08 -0.03 0.00 0.05 0.00 0.00 54.13 53.96 2jqa s LEU 74 Cb -0.06 -0.29 -0.02 0.00 -2.05 0.00 0.00 46.19 43.77 2jqa s LEU 74 CO -0.00 0.00 0.04 -0.04 -0.55 0.00 0.00 176.35 175.80 2jqa s MET 75 N 0.36 0.55 0.31 1.48 -1.94 -1.08 -3.81 119.30 115.16 2jqa s MET 75 Ca -0.04 -0.84 -0.12 0.00 -1.71 0.00 0.00 55.69 52.98 2jqa s MET 75 Cb -0.07 0.21 0.01 0.00 2.01 0.00 0.00 34.83 36.99 2jqa s MET 75 CO -0.00 -0.12 0.58 -0.08 -0.01 0.00 0.00 175.02 175.38 2jqa s THR 76 N -2.74 0.00 -0.28 2.05 -1.32 -1.09 -1.87 115.64 110.39 2jqa s THR 76 Ca -0.04 -1.32 -0.19 0.00 -1.21 0.00 0.00 61.69 58.93 2jqa s THR 76 Cb -0.00 -2.46 0.08 0.00 -1.51 0.00 0.00 72.50 68.61 2jqa s THR 76 CO -0.05 0.00 0.74 -0.89 -2.21 0.00 0.00 174.62 172.20 2jqa s THR 77 N -3.35 0.00 -0.18 5.08 2.01 -1.25 -2.33 115.64 115.61 2jqa s THR 77 Ca 0.22 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 61.91 2jqa s THR 77 Cb -0.02 -1.00 0.14 0.00 0.01 0.00 0.00 72.50 71.63 2jqa s THR 77 CO 0.12 0.00 1.13 0.28 -0.69 0.00 0.00 174.62 175.47 2jqa s THR 78 N 1.15 0.00 -0.13 -0.82 -1.32 -1.20 -4.45 115.64 108.88 2jqa s THR 78 Ca -0.06 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.58 2jqa s THR 78 Cb -0.05 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.23 2jqa s THR 78 CO -0.12 0.00 1.15 0.00 -2.21 0.00 0.00 174.62 173.44 2jqa n HIS 79 N 0.36 0.00 -3.68 9.09 1.44 -1.26 -1.84 115.22 119.32 2jqa n HIS 79 Ca -0.05 -0.98 -0.01 0.00 -2.01 0.00 0.00 57.72 54.68 2jqa n HIS 79 Cb 0.59 -0.16 -0.01 0.00 0.12 0.00 0.00 29.99 30.53 2jqa n HIS 79 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2jqa s SER 80 N -2.73 -0.11 0.00 4.39 0.01 -1.26 -4.78 113.70 109.22 2jqa s SER 80 Ca 0.30 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.29 2jqa s SER 80 Cb 0.27 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.82 2jqa s SER 80 CO 0.00 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.68 2jqa n GLY 81 N -0.48 0.90 1.93 3.44 0.00 -1.26 -4.45 105.19 105.26 2jqa n GLY 81 Ca -0.07 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.12 2.90 3.39 -0.02 0.00 -1.26 -2.90 105.19 105.18 2jqa n GLY 82 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.15 0.98 0.85 1.61 -2.45 -1.26 -5.00 119.30 113.89 2jqa s MET 83 Ca 0.00 -0.14 -0.11 0.00 -1.25 0.00 0.00 55.69 54.19 2jqa s MET 83 Cb 0.00 0.45 0.10 0.00 1.25 0.00 0.00 34.83 36.63 2jqa s MET 83 CO 0.00 -0.33 1.09 0.00 1.05 0.00 0.00 175.02 176.83 2jqa s ALA 84 N -2.04 1.78 -0.04 4.11 0.00 -1.26 -4.07 121.76 120.24 2jqa s ALA 84 Ca -0.08 0.08 0.02 0.00 0.00 0.00 0.00 51.96 51.99 2jqa s ALA 84 Cb -0.01 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.89 2jqa s ALA 84 CO 0.01 -2.17 -0.09 0.20 0.00 0.00 0.00 175.76 173.71 2jqa s GLY 85 N -3.37 0.60 -0.26 0.00 0.00 -0.77 -4.94 107.32 98.58 2jqa s GLY 85 Ca 0.63 -0.32 -0.07 0.00 0.00 0.00 0.00 44.72 44.95 2jqa s GLY 85 CO 0.57 0.04 0.07 -0.29 0.00 0.00 0.00 173.10 173.49 2jqa s MET 86 N 0.42 3.56 -0.08 2.90 -2.45 -1.26 -3.23 119.30 119.15 2jqa s MET 86 Ca -0.07 -0.54 -0.29 0.00 -1.25 0.00 0.00 55.69 53.53 2jqa s MET 86 Cb -0.11 -3.33 -0.07 0.00 1.25 0.00 0.00 34.83 32.57 2jqa s MET 86 CO 0.01 -0.23 1.95 0.21 1.05 0.00 0.00 175.02 178.00 2jqa s LYS 87 N 1.60 3.83 0.00 4.11 2.20 -0.99 -1.43 119.74 129.07 2jqa s LYS 87 Ca 0.06 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 57.94 2jqa s LYS 87 Cb -0.15 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 31.99 2jqa s LYS 87 CO 0.03 -1.29 0.00 -0.12 -0.36 0.00 0.00 175.35 173.61 2jqa n MET 88 N 7.83 0.00 -4.40 4.03 1.56 -1.25 -4.97 117.12 119.92 2jqa n MET 88 Ca 0.22 0.00 -0.25 0.00 -0.27 0.00 0.00 57.70 57.40 2jqa n MET 88 Cb 0.43 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.70 2jqa n MET 88 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 2jqa s VAL 89 N -0.05 2.67 -0.08 1.12 -7.23 -0.51 -4.63 120.40 111.69 2jqa s VAL 89 Ca 0.00 -2.08 0.02 0.00 -1.81 0.00 0.00 61.98 58.11 2jqa s VAL 89 Cb 0.00 -2.35 -0.25 0.00 0.56 0.00 0.00 36.38 34.34 2jqa s VAL 89 CO 0.00 -0.24 0.51 -0.81 -0.31 0.00 0.00 175.10 174.25 2jqa n PRO 90 N -0.20 0.71 -4.18 4.82 -0.04 -1.26 -2.67 135.00 132.17 2jqa n PRO 90 Ca -0.09 0.28 -0.15 0.00 -0.04 0.00 0.00 63.50 63.50 2jqa n PRO 90 Cb 0.58 -1.75 -0.07 0.00 -0.04 0.00 0.00 33.50 32.21 2jqa n PRO 90 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2jqa s TRP 91 N -2.58 1.29 0.00 0.54 0.51 -1.24 -4.65 118.94 112.80 2jqa s TRP 91 Ca -0.14 -1.40 0.00 0.00 -2.12 0.00 0.00 56.10 52.43 2jqa s TRP 91 Cb 0.07 -0.40 0.00 0.00 -0.81 0.00 0.00 33.47 32.33 2jqa s TRP 91 CO 0.80 -0.92 0.00 1.47 -0.51 0.00 0.00 176.95 177.78 2jqa n LEU 92 N -0.51 0.00 -3.79 2.99 -0.00 -0.01 -4.54 117.00 111.15 2jqa n LEU 92 Ca 0.03 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.89 2jqa n LEU 92 Cb 0.63 0.35 -0.16 0.00 -0.00 0.00 0.00 43.42 44.24 2jqa n LEU 92 CO 0.31 -0.35 -0.36 -0.89 -0.00 0.00 0.00 177.39 176.09 2jqa s THR 93 N -1.71 0.02 -0.66 1.47 2.01 -1.25 -2.94 115.64 112.57 2jqa s THR 93 Ca 0.00 0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.11 2jqa s THR 93 Cb 0.00 -0.14 0.17 0.00 0.01 0.00 0.00 72.50 72.54 2jqa s THR 93 CO 0.00 0.11 0.51 -0.63 -0.69 0.00 0.00 174.62 173.92 2jqa s ILE 94 N 1.05 4.21 0.21 1.82 -1.09 -0.09 -4.49 121.20 122.81 2jqa s ILE 94 Ca -0.09 -2.76 -0.29 0.00 -2.23 0.00 0.00 60.65 55.28 2jqa s ILE 94 Cb -0.13 -3.70 -0.08 0.00 -1.58 0.00 0.00 42.46 36.96 2jqa s ILE 94 CO -0.03 -0.91 0.90 -2.16 -1.23 0.00 0.00 174.94 171.52 2jqa s PRO 95 N 0.09 4.77 0.23 2.79 0.04 -1.26 -2.20 135.00 139.45 2jqa s PRO 95 Ca 0.16 1.40 -0.07 0.00 0.04 0.00 0.00 61.00 62.54 2jqa s PRO 95 Cb -0.18 -3.29 0.32 0.00 0.04 0.00 0.00 34.50 31.39 2jqa s PRO 95 CO -0.05 0.50 1.81 0.00 0.04 0.00 0.00 177.00 179.30 2jqa h ALA 96 N 4.36 1.05 -1.94 8.56 0.00 -1.86 -0.92 119.26 128.51 2jqa h ALA 96 Ca -0.45 0.02 -0.69 0.00 0.00 0.00 0.00 54.91 53.79 2jqa h ALA 96 Cb 1.20 -0.14 -0.18 0.00 0.00 0.00 0.00 17.79 18.67 2jqa h ALA 96 CO 0.68 0.09 0.53 1.03 0.00 0.00 0.00 179.25 181.58 2jqa s ARG 97 N -6.06 3.35 0.00 0.00 0.52 -1.26 -4.75 118.95 110.75 2jqa s ARG 97 Ca -0.13 -1.51 0.00 0.00 -0.52 0.00 0.00 55.73 53.58 2jqa s ARG 97 Cb 0.18 -4.56 0.00 0.00 0.52 0.00 0.00 34.95 31.09 2jqa s ARG 97 CO 0.77 -1.68 0.00 0.41 0.02 0.00 0.00 175.30 174.82 2jqa n GLY 98 N 5.26 0.98 1.92 -3.53 0.00 -0.37 -4.56 105.19 104.88 2jqa n GLY 98 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 2jqa n GLY 98 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jqa n THR 99 N 0.00 -8.84 -3.24 2.61 -1.04 -1.08 -4.29 114.28 98.40 2jqa n THR 99 Ca 0.00 1.81 -0.35 0.00 -2.04 0.00 0.00 64.05 63.47 2jqa n THR 99 Cb 0.00 -5.01 -0.06 0.00 -1.82 0.00 0.00 70.33 63.44 2jqa n THR 99 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2jqa s LEU 100 N -0.37 4.27 0.20 -4.42 2.01 -1.26 -4.73 118.68 114.39 2jqa s LEU 100 Ca -0.06 1.21 -0.01 0.00 0.01 0.00 0.00 54.13 55.28 2jqa s LEU 100 Cb 0.00 -3.56 -0.04 0.00 0.01 0.00 0.00 46.19 42.60 2jqa s LEU 100 CO 0.17 0.01 0.13 0.28 1.01 0.00 0.00 176.35 177.94 2jqa s THR 101 N -1.61 0.02 -0.37 5.49 -1.32 -1.26 -3.71 115.64 112.87 2jqa s THR 101 Ca 0.43 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.94 2jqa s THR 101 Cb -0.14 -2.51 0.15 0.00 -1.51 0.00 0.00 72.50 68.49 2jqa s THR 101 CO 0.20 0.00 0.34 -0.22 -2.21 0.00 0.00 174.62 172.73 2jqa s LEU 102 N -3.17 0.22 0.05 9.08 2.96 -0.46 -4.95 118.68 122.41 2jqa s LEU 102 Ca 0.39 -1.79 -0.05 0.00 -0.22 0.00 0.00 54.13 52.46 2jqa s LEU 102 Cb 0.07 0.32 -0.02 0.00 0.50 0.00 0.00 46.19 47.06 2jqa s LEU 102 CO 0.12 -0.26 0.07 -1.10 -1.32 0.00 0.00 176.35 173.86 2jqa s GLN 103 N 1.27 0.61 0.00 1.98 -1.52 -0.89 -1.09 119.66 120.03 2jqa s GLN 103 Ca 0.18 -0.88 0.00 0.00 -1.95 0.00 0.00 55.36 52.71 2jqa s GLN 103 Cb -0.17 0.23 0.00 0.00 -0.22 0.00 0.00 33.01 32.86 2jqa s GLN 103 CO -0.02 -0.15 0.25 2.89 -0.25 0.00 0.00 175.29 178.01 2jqa n ARG 104 N 0.55 0.00 0.00 2.91 1.85 -1.26 -0.79 116.66 119.92 2jqa n ARG 104 Ca -0.18 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 56.79 2jqa n ARG 104 Cb 0.59 -1.25 0.07 0.00 -1.05 0.00 0.00 32.46 30.82 2jqa n ARG 104 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2jqa n ASP 105 N -0.75 2.11 0.05 2.89 2.03 -1.26 -4.72 116.55 116.90 2jqa n ASP 105 Ca 0.00 -1.55 0.00 0.00 0.52 0.00 0.00 54.79 53.76 2jqa n ASP 105 Cb 0.00 0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 2jqa n ASP 105 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jqa n GLY 106 N 1.39 -0.11 0.00 0.27 0.00 -0.51 -5.07 105.19 101.17 2jqa n GLY 106 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.92 0.00 -3.11 1.61 8.00 0.03 -3.96 116.55 116.19 2jqa n ASP 107 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 2jqa n ASP 107 Cb 0.05 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.16 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 0.13 0.21 1.24 -3.43 -0.78 -2.09 115.29 108.57 2jqa s HIS 108 Ca 0.00 -0.74 -0.23 0.00 -0.80 0.00 0.00 55.06 53.29 2jqa s HIS 108 Cb 0.00 0.76 -0.08 0.00 -1.43 0.00 0.00 32.58 31.82 2jqa s HIS 108 CO 0.00 -1.49 0.78 0.54 -2.00 0.00 0.00 174.74 172.58 2jqa s VAL 109 N -2.64 4.42 -0.03 -5.38 0.11 -1.24 -2.64 120.40 113.00 2jqa s VAL 109 Ca 0.16 1.56 0.02 0.00 -2.93 0.00 0.00 61.98 60.79 2jqa s VAL 109 Cb -0.05 -4.01 0.01 0.00 -1.53 0.00 0.00 36.38 30.80 2jqa s VAL 109 CO 0.11 0.34 -0.09 -0.04 -3.33 0.00 0.00 175.10 172.09 2jqa s MET 110 N -1.62 0.98 -0.96 1.54 1.00 0.69 -0.78 119.30 120.14 2jqa s MET 110 Ca 0.41 -0.29 -0.00 0.00 0.00 0.00 0.00 55.69 55.81 2jqa s MET 110 Cb -0.20 -0.91 0.33 0.00 0.00 0.00 0.00 34.83 34.05 2jqa s MET 110 CO 0.24 0.09 1.73 1.28 0.00 0.00 0.00 175.02 178.36 2jqa n LEU 111 N 3.40 7.02 -4.73 -0.03 4.32 0.07 -1.56 117.00 125.49 2jqa n LEU 111 Ca -0.19 -5.39 -0.41 0.00 -0.02 0.00 0.00 56.01 50.00 2jqa n LEU 111 Cb 0.54 -1.09 -0.04 0.00 -1.62 0.00 0.00 43.42 41.21 2jqa n LEU 111 CO 0.25 2.07 0.77 -0.32 -1.22 0.00 0.00 177.39 178.93 2jqa s MET 112 N -4.22 4.58 -0.35 3.23 1.75 -1.15 -3.67 119.30 119.47 2jqa s MET 112 Ca 0.41 1.62 -0.01 0.00 -1.25 0.00 0.00 55.69 56.46 2jqa s MET 112 Cb 0.22 -3.34 -0.01 0.00 2.84 0.00 0.00 34.83 34.53 2jqa s MET 112 CO -0.15 0.02 0.30 0.41 -0.65 0.00 0.00 175.02 174.95 2jqa n GLY 113 N 2.48 0.23 3.79 2.11 0.00 -1.12 -2.27 105.19 110.41 2jqa n GLY 113 Ca 0.04 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 2jqa n GLY 113 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jqa s LEU 114 N -3.60 3.33 -0.15 0.99 2.96 0.04 -1.39 118.68 120.86 2jqa s LEU 114 Ca 0.09 1.83 -0.10 0.00 -0.22 0.00 0.00 54.13 55.73 2jqa s LEU 114 Cb -0.01 -4.53 -0.24 0.00 0.50 0.00 0.00 46.19 41.91 2jqa s LEU 114 CO 0.23 -1.47 0.29 2.29 -1.32 0.00 0.00 176.35 176.37 2jqa n LYS 115 N -2.56 0.71 -3.70 1.98 2.85 -1.25 -4.78 118.16 111.41 2jqa n LYS 115 Ca 0.09 0.32 -0.14 0.00 -1.05 0.00 0.00 58.31 57.53 2jqa n LYS 115 Cb 0.53 -1.70 -0.08 0.00 -0.65 0.00 0.00 35.03 33.12 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 -2.51 0.75 0.76 -1.58 0.52 -1.26 -5.05 118.95 110.58 2jqa s ARG 116 Ca -0.25 -0.04 -0.11 0.00 -0.52 0.00 0.00 55.73 54.81 2jqa s ARG 116 Cb 0.07 0.34 0.05 0.00 0.52 0.00 0.00 34.95 35.93 2jqa s ARG 116 CO 0.72 -0.21 1.09 -1.25 0.02 0.00 0.00 175.30 175.67 2jqa s PRO 117 N -1.21 2.40 0.21 3.54 0.04 -1.26 -5.04 135.00 133.68 2jqa s PRO 117 Ca -0.12 0.66 0.07 0.00 0.04 0.00 0.00 61.00 61.65 2jqa s PRO 117 Cb -0.04 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2jqa s PRO 117 CO 0.05 -1.41 0.08 -0.51 0.04 0.00 0.00 177.00 175.26 2jqa s LEU 118 N -5.65 3.52 0.79 -3.56 1.43 -1.26 -5.01 118.68 108.94 2jqa s LEU 118 Ca 0.60 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 2jqa s LEU 118 Cb -0.14 -2.11 0.06 0.00 0.03 0.00 0.00 46.19 44.04 2jqa s LEU 118 CO 0.54 0.04 1.09 -1.59 0.23 0.00 0.00 176.35 176.66 2jqa s LYS 119 N -3.35 2.15 0.00 1.70 -2.85 -1.26 -4.39 119.74 111.74 2jqa s LYS 119 Ca 0.30 0.67 0.00 0.00 -1.00 0.00 0.00 55.97 55.95 2jqa s LYS 119 Cb -0.09 -1.92 0.00 0.00 -2.06 0.00 0.00 37.83 33.76 2jqa s LYS 119 CO 0.21 -1.58 0.94 1.55 0.10 0.00 0.00 175.35 176.57 2jqa n VAL 120 N -3.41 0.94 -1.15 1.79 3.14 -1.26 -3.30 118.33 115.07 2jqa n VAL 120 Ca 0.07 -0.09 -0.00 0.00 -2.96 0.00 0.00 64.34 61.36 2jqa n VAL 120 Cb 0.56 -1.00 -0.00 0.00 -1.06 0.00 0.00 33.84 32.34 2jqa n VAL 120 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2jqa n GLY 121 N 0.86 0.03 3.67 7.55 0.00 -1.04 -4.44 105.19 111.82 2jqa n GLY 121 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2jqa n GLY 121 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jqa n GLU 122 N 0.00 0.90 -2.92 1.61 4.07 -1.21 -4.81 120.64 118.28 2jqa n GLU 122 Ca -0.00 0.36 -0.41 0.00 -0.06 0.00 0.00 57.16 57.05 2jqa n GLU 122 Cb 0.08 -2.36 -0.04 0.00 -0.06 0.00 0.00 31.44 29.06 2jqa n GLU 122 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2jqa s THR 123 N -1.52 4.90 -0.04 6.31 2.01 -1.26 -3.08 115.64 122.95 2jqa s THR 123 Ca 0.79 1.56 0.05 0.00 0.31 0.00 0.00 61.69 64.41 2jqa s THR 123 Cb -0.38 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.01 2jqa s THR 123 CO 0.44 0.03 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.51 2jqa s VAL 124 N 2.19 1.63 0.14 3.82 1.01 0.09 -5.02 120.40 124.25 2jqa s VAL 124 Ca 0.37 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 2jqa s VAL 124 Cb -0.16 -1.38 -0.07 0.00 0.00 0.00 0.00 36.38 34.76 2jqa s VAL 124 CO 0.12 0.46 1.20 0.20 0.00 0.00 0.00 175.10 177.07 2jqa s ASN 125 N -0.15 7.09 -0.03 3.32 0.02 -1.26 -0.91 114.94 123.02 2jqa s ASN 125 Ca -0.01 2.14 -0.03 0.00 -1.02 0.00 0.00 52.86 53.95 2jqa s ASN 125 Cb -0.11 -2.60 0.01 0.00 0.02 0.00 0.00 41.25 38.57 2jqa s ASN 125 CO 0.02 -0.40 0.09 -0.51 0.02 0.00 0.00 177.10 176.31 2jqa s ILE 126 N 0.37 -0.00 -0.22 0.60 -1.16 -0.80 -4.60 121.20 115.39 2jqa s ILE 126 Ca 0.55 0.01 0.01 0.00 -0.51 0.00 0.00 60.65 60.71 2jqa s ILE 126 Cb -0.31 -0.13 0.05 0.00 0.61 0.00 0.00 42.46 42.68 2jqa s ILE 126 CO 0.33 0.00 -0.10 -0.89 -2.81 0.00 0.00 174.94 171.48 2jqa s THR 127 N 0.08 1.74 -0.21 4.00 2.01 -0.04 -0.01 115.64 123.21 2jqa s THR 127 Ca -0.00 -1.19 0.01 0.00 0.31 0.00 0.00 61.69 60.82 2jqa s THR 127 Cb -0.01 -1.86 0.04 0.00 0.01 0.00 0.00 72.50 70.69 2jqa s THR 127 CO -0.00 0.08 -0.12 -1.48 -0.69 0.00 0.00 174.62 172.41 2jqa s LEU 128 N 1.33 2.50 -0.21 4.42 2.34 -0.55 -0.41 118.68 128.11 2jqa s LEU 128 Ca -0.04 -0.97 -0.02 0.00 0.06 0.00 0.00 54.13 53.17 2jqa s LEU 128 Cb -0.17 -1.33 0.01 0.00 -0.56 0.00 0.00 46.19 44.13 2jqa s LEU 128 CO -0.07 -0.14 -0.10 -0.75 -1.06 0.00 0.00 176.35 174.23 2jqa s LYS 129 N 1.32 3.19 0.37 1.48 2.20 -1.25 -1.59 119.74 125.46 2jqa s LYS 129 Ca -0.02 -0.73 -0.27 0.00 -0.36 0.00 0.00 55.97 54.58 2jqa s LYS 129 Cb -0.17 -2.86 -0.10 0.00 -1.51 0.00 0.00 37.83 33.20 2jqa s LYS 129 CO -0.08 -0.22 1.35 0.00 -0.36 0.00 0.00 175.35 176.03 2jqa s ALA 130 N 1.40 3.42 0.14 3.13 0.00 -1.26 -3.66 121.76 124.93 2jqa s ALA 130 Ca 0.05 1.33 0.10 0.00 0.00 0.00 0.00 51.96 53.44 2jqa s ALA 130 Cb -0.14 -3.51 0.07 0.00 0.00 0.00 0.00 23.12 19.53 2jqa s ALA 130 CO -0.07 -0.82 1.44 0.00 0.00 0.00 0.00 175.76 176.31 2jqa h THR 131 N 2.79 1.47 -3.04 0.00 1.03 -1.49 -3.39 112.91 110.27 2jqa h THR 131 Ca -0.50 -2.74 -0.61 0.00 -0.01 0.00 0.00 66.41 62.56 2jqa h THR 131 Cb 1.24 2.51 -0.40 0.00 -1.07 0.00 0.00 68.15 70.43 2jqa h THR 131 CO 0.64 0.76 -0.74 -0.62 -0.01 0.00 0.00 175.52 175.55 2jqa s ASP 132 N -6.70 3.75 0.00 0.00 -1.08 -1.25 -5.01 116.67 106.39 2jqa s ASP 132 Ca 0.01 -2.43 0.00 0.00 -0.52 0.00 0.00 52.55 49.61 2jqa s ASP 132 Cb 0.11 -1.02 0.00 0.00 -1.46 0.00 0.00 42.92 40.55 2jqa s ASP 132 CO 0.78 -0.30 0.00 0.61 0.52 0.00 0.00 175.17 176.79 2jqa n GLY 133 N 3.81 -0.53 0.00 2.66 0.00 -1.26 -3.84 105.19 106.03 2jqa n GLY 133 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2jqa n GLY 133 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jqa n ARG 134 N 0.00 0.00 -1.13 1.61 1.85 -1.26 -4.98 116.66 112.75 2jqa n ARG 134 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 2jqa n ARG 134 Cb 0.00 0.00 0.12 0.00 -1.05 0.00 0.00 32.46 31.53 2jqa n ARG 134 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2jqa s THR 135 N 0.00 2.62 0.00 8.89 2.01 -1.26 -4.96 115.64 122.94 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 -2.56 0.00 0.00 0.01 0.00 0.00 72.50 69.95 2jqa s THR 135 CO 0.00 -0.24 0.00 0.00 -0.69 0.00 0.00 174.62 173.69 2jqa n LEU 136 N -3.52 0.00 -4.62 4.42 -0.00 -0.62 -4.07 117.00 108.60 2jqa n LEU 136 Ca 0.11 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.69 2jqa n LEU 136 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.92 2jqa n LEU 136 CO 0.50 0.00 1.26 0.21 -0.00 0.00 0.00 177.39 179.36 2jqa s ASN 137 N 2.00 6.41 0.13 1.45 2.47 -1.26 -1.48 114.94 124.66 2jqa s ASN 137 Ca 0.00 1.16 0.04 0.00 0.42 0.00 0.00 52.86 54.47 2jqa s ASN 137 Cb 0.00 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.22 2jqa s ASN 137 CO 0.00 -1.31 -0.10 -0.69 -3.72 0.00 0.00 177.10 171.28 2jqa s VAL 138 N 5.18 1.05 -0.24 -5.21 1.01 0.99 -4.99 120.40 118.19 2jqa s VAL 138 Ca 0.63 -1.97 -0.22 0.00 0.00 0.00 0.00 61.98 60.43 2jqa s VAL 138 Cb -0.18 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 2jqa s VAL 138 CO 0.29 -0.74 0.71 0.00 0.00 0.00 0.00 175.10 175.36 2jqa s ALA 139 N -3.22 3.61 0.22 5.51 0.00 -1.26 -1.91 121.76 124.71 2jqa s ALA 139 Ca 0.14 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.85 2jqa s ALA 139 Cb 0.02 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 2jqa s ALA 139 CO -0.01 -0.81 0.33 0.00 0.00 0.00 0.00 175.76 175.27 2jqa s ALA 140 N 2.54 3.93 -0.02 0.00 0.00 -0.09 -4.89 121.76 123.22 2jqa s ALA 140 Ca 0.30 -1.18 0.04 0.00 0.00 0.00 0.00 51.96 51.11 2jqa s ALA 140 Cb -0.15 -1.73 -0.00 0.00 0.00 0.00 0.00 23.12 21.23 2jqa s ALA 140 CO 0.08 0.32 -0.13 0.99 0.00 0.00 0.00 175.76 177.03 2jqa s THR 141 N -1.92 1.07 0.02 0.00 2.01 -1.24 -0.73 115.64 114.86 2jqa s THR 141 Ca 0.34 -0.54 -0.21 0.00 0.31 0.00 0.00 61.69 61.59 2jqa s THR 141 Cb -0.10 -0.92 -0.06 0.00 0.01 0.00 0.00 72.50 71.44 2jqa s THR 141 CO 0.29 0.31 0.60 0.54 -0.69 0.00 0.00 174.62 175.68 2jqa s VAL 142 N -0.04 4.85 -0.30 3.82 0.11 -1.18 -3.19 120.40 124.47 2jqa s VAL 142 Ca -0.00 1.27 -0.02 0.00 -2.93 0.00 0.00 61.98 60.30 2jqa s VAL 142 Cb -0.08 -3.94 0.19 0.00 -1.53 0.00 0.00 36.38 31.02 2jqa s VAL 142 CO 0.01 0.45 0.66 -0.75 -3.33 0.00 0.00 175.10 172.14 2jqa s LYS 143 N -0.41 0.51 2.23 1.54 2.20 -1.19 -2.50 119.74 122.12 2jqa s LYS 143 Ca 0.31 0.86 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 2jqa s LYS 143 Cb -0.19 0.47 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 2jqa s LYS 143 CO 0.18 -0.60 0.00 1.17 -0.36 0.00 0.00 175.35 175.74 2jqa n LYS 144 N 5.43 0.00 -1.65 4.03 4.81 -1.26 -4.76 118.16 124.76 2jqa n LYS 144 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 2jqa n LYS 144 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 2jqa n LYS 144 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2jqa n ASN 145 N -3.39 -8.87 -3.40 3.14 3.02 -1.26 -1.18 115.26 103.32 2jqa n ASN 145 Ca 0.00 1.60 0.02 0.00 -0.03 0.00 0.00 54.58 56.17 2jqa n ASN 145 Cb 0.00 -5.18 -0.05 0.00 -0.61 0.00 0.00 39.78 33.94 2jqa n ASN 145 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2jqa s ILE 146 N -4.42 -0.23 0.38 2.41 2.07 -1.26 -2.68 121.20 117.47 2jqa s ILE 146 Ca 0.00 0.00 0.12 0.00 -1.41 0.00 0.00 60.65 59.36 2jqa s ILE 146 Cb 0.00 -1.00 0.34 0.00 0.13 0.00 0.00 42.46 41.93 2jqa s ILE 146 CO 0.00 0.00 1.88 -0.08 -1.91 0.00 0.00 174.94 174.83 2jqa h GLU 147 N 6.87 0.55 -2.73 3.50 4.57 -1.96 -3.48 114.58 121.90 2jqa h GLU 147 Ca -0.18 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 57.95 2jqa h GLU 147 Cb 1.14 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 29.61 2jqa h GLU 147 CO 0.11 0.36 -0.05 0.41 -1.18 0.00 0.00 179.01 178.67 2jqa n GLY 148 N -1.47 0.62 0.53 1.92 0.00 -1.26 -5.25 105.19 100.29 2jqa n GLY 148 Ca 0.17 -0.33 0.07 0.00 0.00 0.00 0.00 46.02 45.93 2jqa n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19