#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 4.47 3.29 3.17 0.00 -1.26 -5.16 105.19 109.71 2jqa n GLY 2 Ca 0.00 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.53 2.00 0.06 1.61 4.02 -1.26 -5.10 115.29 115.08 2jqa s HIS 3 Ca 0.00 -0.39 -0.21 0.00 1.02 0.00 0.00 55.06 55.48 2jqa s HIS 3 Cb 0.00 -1.17 -0.09 0.00 -1.02 0.00 0.00 32.58 30.29 2jqa s HIS 3 CO 0.00 0.13 1.33 0.00 1.02 0.00 0.00 174.74 177.22 2jqa h THR 4 N 4.25 0.00 -3.02 1.30 1.03 -2.08 -3.36 112.91 111.04 2jqa h THR 4 Ca -0.45 0.00 -0.57 0.00 -0.01 0.00 0.00 66.41 65.39 2jqa h THR 4 Cb 1.16 0.00 -0.04 0.00 -1.07 0.00 0.00 68.15 68.20 2jqa h THR 4 CO 0.43 0.00 1.01 -0.04 -0.01 0.00 0.00 175.52 176.90 2jqa s MET 5 N -4.64 3.92 0.22 0.00 1.00 -1.26 -4.91 119.30 113.63 2jqa s MET 5 Ca -0.10 1.41 0.12 0.00 0.00 0.00 0.00 55.69 57.12 2jqa s MET 5 Cb 0.03 -3.91 0.01 0.00 0.00 0.00 0.00 34.83 30.96 2jqa s MET 5 CO 0.35 -1.12 1.41 -1.00 0.00 0.00 0.00 175.02 174.66 2jqa h PRO 6 N 9.55 0.00 -2.63 2.03 0.13 -2.04 -3.50 132.00 135.54 2jqa h PRO 6 Ca -0.28 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.04 2jqa h PRO 6 Cb 1.11 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.14 2jqa h PRO 6 CO 1.02 0.72 -0.88 0.00 -0.23 0.00 0.00 178.00 178.62 2jqa n ALA 7 N -2.30 -2.46 -3.60 -0.56 0.00 -1.26 -4.86 120.51 105.46 2jqa n ALA 7 Ca 0.01 0.61 -0.40 0.00 0.00 0.00 0.00 53.44 53.66 2jqa n ALA 7 Cb 0.80 -1.18 -0.09 0.00 0.00 0.00 0.00 19.45 18.98 2jqa n ALA 7 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2jqa s HIS 8 N -4.26 3.47 -0.66 0.00 3.76 -1.26 -4.99 115.29 111.35 2jqa s HIS 8 Ca 0.00 -2.04 0.05 0.00 -0.15 0.00 0.00 55.06 52.92 2jqa s HIS 8 Cb 0.00 -3.44 0.27 0.00 1.11 0.00 0.00 32.58 30.53 2jqa s HIS 8 CO 0.00 -0.98 0.86 0.25 -0.85 0.00 0.00 174.74 174.02 2jqa n THR 9 N 4.75 2.81 -3.01 1.30 -2.24 -1.26 -5.11 114.28 111.51 2jqa n THR 9 Ca -0.05 -5.37 -0.32 0.00 -2.27 0.00 0.00 64.05 56.03 2jqa n THR 9 Cb 0.41 -1.93 -0.06 0.00 -2.10 0.00 0.00 70.33 66.64 2jqa n THR 9 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2jqa s PRO 10 N -2.76 4.05 0.49 -0.78 0.04 -1.26 -5.10 135.00 129.68 2jqa s PRO 10 Ca 0.41 0.79 -0.06 0.00 0.04 0.00 0.00 61.00 62.18 2jqa s PRO 10 Cb 0.17 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2jqa s PRO 10 CO -0.03 0.08 0.81 -1.25 0.04 0.00 0.00 177.00 176.65 2jqa s PRO 11 N -3.12 3.57 -0.01 0.56 0.04 -1.26 -5.13 135.00 129.65 2jqa s PRO 11 Ca 0.56 0.29 0.04 0.00 0.04 0.00 0.00 61.00 61.94 2jqa s PRO 11 Cb -0.10 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 2jqa s PRO 11 CO 0.17 -0.23 -0.13 0.00 0.04 0.00 0.00 177.00 176.85 2jqa s ALA 12 N -2.76 1.10 0.17 8.56 0.00 -1.26 -5.16 121.76 122.41 2jqa s ALA 12 Ca 0.49 -0.55 -0.10 0.00 0.00 0.00 0.00 51.96 51.80 2jqa s ALA 12 Cb -0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 2jqa s ALA 12 CO 0.45 0.25 0.32 -0.65 0.00 0.00 0.00 175.76 176.13 2jqa s GLN 13 N -0.22 1.20 0.14 0.00 -0.21 -1.26 -5.18 119.66 114.13 2jqa s GLN 13 Ca 0.03 -1.15 0.03 0.00 0.02 0.00 0.00 55.36 54.29 2jqa s GLN 13 Cb -0.06 0.40 -0.04 0.00 1.00 0.00 0.00 33.01 34.31 2jqa s GLN 13 CO -0.00 -0.45 0.24 -0.08 -2.12 0.00 0.00 175.29 172.88 2jqa s THR 14 N -3.96 5.15 -0.01 -0.19 -1.32 -1.26 -5.10 115.64 108.95 2jqa s THR 14 Ca 0.17 -0.73 -0.29 0.00 -1.21 0.00 0.00 61.69 59.63 2jqa s THR 14 Cb 0.03 -3.63 0.07 0.00 -1.51 0.00 0.00 72.50 67.45 2jqa s THR 14 CO 0.00 -0.06 0.65 0.00 -2.21 0.00 0.00 174.62 173.00 2jqa s ALA 15 N -1.71 -1.70 0.00 11.08 0.00 -1.26 -5.07 121.76 123.10 2jqa s ALA 15 Ca 0.34 1.13 -0.03 0.00 0.00 0.00 0.00 51.96 53.40 2jqa s ALA 15 Cb -0.11 0.17 -0.13 0.00 0.00 0.00 0.00 23.12 23.04 2jqa s ALA 15 CO 0.27 -0.44 2.71 -0.35 0.00 0.00 0.00 175.76 177.96 2jqa n PRO 16 N 0.67 1.44 -3.49 0.00 -0.04 -1.26 -4.85 135.00 127.48 2jqa n PRO 16 Ca -0.19 -0.50 -0.23 0.00 -0.04 0.00 0.00 63.50 62.55 2jqa n PRO 16 Cb 0.58 -1.53 0.02 0.00 -0.04 0.00 0.00 33.50 32.54 2jqa n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jqa s ALA 17 N 0.64 4.54 0.00 0.55 0.00 -1.26 -5.15 121.76 121.08 2jqa s ALA 17 Ca 0.33 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.61 2jqa s ALA 17 Cb 0.16 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 22.21 2jqa s ALA 17 CO 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 175.76 175.14 2jqa n ALA 18 N -1.97 0.00 0.10 0.00 0.00 -1.26 -4.86 120.51 112.52 2jqa n ALA 18 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2jqa n ALA 18 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.45 0.00 -0.93 0.00 6.02 -1.26 -5.13 117.38 115.64 2jqa n GLN 19 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 2jqa n GLN 19 Cb 0.00 0.00 0.18 0.00 1.02 0.00 0.00 30.24 31.44 2jqa n GLN 19 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2jqa s LYS 20 N -1.61 0.52 0.98 -1.09 -0.14 -1.26 -5.05 119.74 112.08 2jqa s LYS 20 Ca 0.00 0.93 -0.12 0.00 -1.36 0.00 0.00 55.97 55.42 2jqa s LYS 20 Cb 0.00 -1.72 0.18 0.00 -1.68 0.00 0.00 37.83 34.61 2jqa s LYS 20 CO 0.00 -2.78 1.08 0.00 -0.76 0.00 0.00 175.35 172.90 2jqa s ALA 21 N -2.75 0.96 0.00 5.17 0.00 -1.26 -4.29 121.76 119.59 2jqa s ALA 21 Ca 0.66 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.64 2jqa s ALA 21 Cb -0.21 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2jqa s ALA 21 CO 0.59 -2.86 0.00 0.41 0.00 0.00 0.00 175.76 173.91 2jqa n GLY 22 N -0.36 2.19 0.00 0.00 0.00 -1.26 -4.96 105.19 100.79 2jqa n GLY 22 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.98 -0.46 -2.53 4.61 0.00 -1.26 -4.97 120.51 116.88 2jqa n ALA 23 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2jqa n ALA 23 Cb 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 19.45 19.04 2jqa n ALA 23 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2jqa s GLN 24 N -4.15 4.26 -0.05 0.00 1.11 -1.26 -4.99 119.66 114.58 2jqa s GLN 24 Ca 0.00 1.54 -0.31 0.00 0.01 0.00 0.00 55.36 56.60 2jqa s GLN 24 Cb 0.00 -3.69 0.11 0.00 -1.01 0.00 0.00 33.01 28.42 2jqa s GLN 24 CO 0.00 -0.64 1.10 0.00 0.01 0.00 0.00 175.29 175.76 2jqa s ALA 25 N 3.23 -1.97 -0.44 6.09 0.00 -1.26 -4.80 121.76 122.62 2jqa s ALA 25 Ca 0.51 1.02 0.04 0.00 0.00 0.00 0.00 51.96 53.52 2jqa s ALA 25 Cb -0.19 0.25 0.12 0.00 0.00 0.00 0.00 23.12 23.29 2jqa s ALA 25 CO 0.12 -0.79 0.16 -1.17 0.00 0.00 0.00 175.76 174.09 2jqa s LEU 26 N -2.55 4.55 -1.43 0.00 0.20 -1.26 -5.05 118.68 113.13 2jqa s LEU 26 Ca 0.10 -2.61 -0.15 0.00 0.69 0.00 0.00 54.13 52.16 2jqa s LEU 26 Cb 0.00 -1.64 0.05 0.00 -0.43 0.00 0.00 46.19 44.17 2jqa s LEU 26 CO -0.05 -0.31 2.15 -0.81 -0.29 0.00 0.00 176.35 177.04 2jqa n PRO 27 N 3.66 2.92 -1.53 0.98 -0.04 -1.26 -4.92 135.00 134.81 2jqa n PRO 27 Ca 0.04 -2.72 -0.33 0.00 -0.04 0.00 0.00 63.50 60.45 2jqa n PRO 27 Cb 0.37 -3.32 -0.09 0.00 -0.04 0.00 0.00 33.50 30.42 2jqa n PRO 27 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2jqa n VAL 28 N 5.29 -0.04 -1.28 0.52 3.14 -1.26 -4.74 118.33 119.95 2jqa n VAL 28 Ca 0.51 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 2jqa n VAL 28 Cb 0.40 -1.74 0.00 0.00 -1.06 0.00 0.00 33.84 31.44 2jqa n VAL 28 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2jqa n THR 29 N 7.74 0.00 -3.19 1.55 -2.24 -1.24 -3.92 114.28 112.97 2jqa n THR 29 Ca 0.50 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 62.06 2jqa n THR 29 Cb 0.34 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.52 2jqa n THR 29 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2jqa n VAL 30 N 0.00 0.21 -4.50 2.28 0.31 -0.40 -4.60 118.33 111.63 2jqa n VAL 30 Ca 0.00 -4.53 -0.21 0.00 -0.01 0.00 0.00 64.34 59.59 2jqa n VAL 30 Cb 0.00 -1.20 -0.15 0.00 -0.91 0.00 0.00 33.84 31.58 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 -2.07 0.98 -0.17 5.55 -2.07 -1.23 -3.45 119.66 117.20 2jqa s GLN 31 Ca 0.39 -0.51 0.15 0.00 -1.82 0.00 0.00 55.36 53.56 2jqa s GLN 31 Cb 0.26 -0.95 0.36 0.00 -1.09 0.00 0.00 33.01 31.58 2jqa s GLN 31 CO -0.09 0.26 1.19 0.41 -1.32 0.00 0.00 175.29 175.73 2jqa n GLY 32 N 2.57 4.90 3.09 2.60 0.00 -1.26 -5.06 105.19 112.03 2jqa n GLY 32 Ca -0.15 -1.21 -0.02 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.21 -2.40 -2.83 4.61 0.00 -1.26 -2.81 120.51 114.60 2jqa n ALA 33 Ca 0.17 0.17 -0.34 0.00 0.00 0.00 0.00 53.44 53.44 2jqa n ALA 33 Cb 0.68 -0.79 -0.11 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.21 4.21 0.08 0.00 2.01 -1.15 -0.77 115.64 118.80 2jqa s THR 34 Ca 0.03 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 61.82 2jqa s THR 34 Cb -0.00 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 2jqa s THR 34 CO 0.26 0.52 -0.02 -0.69 -0.69 0.00 0.00 174.62 174.00 2jqa s VAL 35 N -0.03 3.92 -1.15 3.82 1.01 0.53 -0.42 120.40 128.08 2jqa s VAL 35 Ca 0.03 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.88 2jqa s VAL 35 Cb -0.13 -2.84 0.15 0.00 0.00 0.00 0.00 36.38 33.56 2jqa s VAL 35 CO 0.02 0.16 1.39 0.00 0.00 0.00 0.00 175.10 176.67 2jqa s ALA 36 N -1.26 3.80 0.22 5.51 0.00 -0.00 -1.64 121.76 128.40 2jqa s ALA 36 Ca 0.24 -3.19 -0.30 0.00 0.00 0.00 0.00 51.96 48.72 2jqa s ALA 36 Cb -0.12 -4.15 -0.16 0.00 0.00 0.00 0.00 23.12 18.70 2jqa s ALA 36 CO 0.16 -2.87 0.90 0.00 0.00 0.00 0.00 175.76 173.95 2jqa n ALA 37 N 6.07 -1.31 -3.00 0.00 0.00 -1.26 -4.25 120.51 116.77 2jqa n ALA 37 Ca 0.35 0.43 -0.11 0.00 0.00 0.00 0.00 53.44 54.10 2jqa n ALA 37 Cb 0.44 -1.89 -0.08 0.00 0.00 0.00 0.00 19.45 17.93 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 -0.80 0.09 0.26 0.00 -7.23 -1.26 -1.97 120.40 109.49 2jqa s VAL 38 Ca 0.65 -0.74 -0.30 0.00 -1.81 0.00 0.00 61.98 59.78 2jqa s VAL 38 Cb -0.83 -0.80 -0.09 0.00 0.56 0.00 0.00 36.38 35.22 2jqa s VAL 38 CO 0.57 -0.41 1.16 -2.16 -0.31 0.00 0.00 175.10 173.95 2jqa s PRO 39 N -2.17 4.55 0.33 4.82 0.04 -1.26 -4.88 135.00 136.43 2jqa s PRO 39 Ca -0.08 1.89 0.25 0.00 0.04 0.00 0.00 61.00 63.10 2jqa s PRO 39 Cb -0.03 -3.19 1.15 0.00 0.04 0.00 0.00 34.50 32.47 2jqa s PRO 39 CO -0.01 0.06 1.76 -1.00 0.04 0.00 0.00 177.00 177.84 2jqa h PRO 40 N 4.21 0.00 -0.78 0.56 0.13 -2.00 -0.53 132.00 133.60 2jqa h PRO 40 Ca -0.46 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.79 2jqa h PRO 40 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2jqa h PRO 40 CO 0.69 0.00 0.51 1.03 -0.23 0.00 0.00 178.00 180.00 2jqa h SER 41 N 0.00 0.54 -2.55 1.44 0.87 -2.02 -3.29 113.55 108.53 2jqa h SER 41 Ca 0.00 0.02 -0.63 0.00 -1.23 0.00 0.00 61.79 59.95 2jqa h SER 41 Cb 0.27 -0.09 -0.14 0.00 -0.44 0.00 0.00 62.40 62.00 2jqa h SER 41 CO 0.00 0.30 0.65 -0.63 -0.53 0.00 0.00 176.83 176.62 2jqa s ILE 42 N -5.56 4.31 -1.38 2.23 -1.09 -0.21 -4.90 121.20 114.61 2jqa s ILE 42 Ca -0.09 -0.47 0.18 0.00 -2.23 0.00 0.00 60.65 58.04 2jqa s ILE 42 Cb 0.21 -4.73 0.29 0.00 -1.58 0.00 0.00 42.46 36.65 2jqa s ILE 42 CO 0.77 -1.51 1.53 -2.11 -1.23 0.00 0.00 174.94 172.39 2jqa n ARG 43 N 7.73 0.22 -3.49 2.79 1.85 -1.24 -4.73 116.66 119.79 2jqa n ARG 43 Ca 0.01 0.13 -0.38 0.00 -1.00 0.00 0.00 57.85 56.61 2jqa n ARG 43 Cb 0.46 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.31 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 -2.62 6.73 0.00 2.89 1.01 -1.26 -1.18 116.67 122.24 2jqa s ASP 44 Ca 0.16 0.87 0.00 0.00 0.71 0.00 0.00 52.55 54.28 2jqa s ASP 44 Cb 0.12 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.81 2jqa s ASP 44 CO 0.27 0.25 0.00 1.07 0.21 0.00 0.00 175.17 176.98 2jqa n THR 45 N 2.33 0.00 -3.50 -1.27 5.66 -0.38 -4.91 114.28 112.21 2jqa n THR 45 Ca -0.13 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.77 2jqa n THR 45 Cb 0.52 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.28 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 -1.86 -1.66 -0.07 1.79 0.00 -1.26 -0.37 121.76 118.33 2jqa s ALA 46 Ca 0.00 0.61 0.04 0.00 0.00 0.00 0.00 51.96 52.61 2jqa s ALA 46 Cb 0.00 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 2jqa s ALA 46 CO 0.00 -0.77 -0.19 0.00 0.00 0.00 0.00 175.76 174.80 2jqa s ALA 47 N -3.50 2.44 -0.05 0.00 0.00 -0.46 -0.82 121.76 119.36 2jqa s ALA 47 Ca 0.04 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.04 2jqa s ALA 47 Cb -0.01 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 2jqa s ALA 47 CO -0.09 0.42 -0.12 0.71 0.00 0.00 0.00 175.76 176.68 2jqa s TYR 48 N -0.23 2.77 -0.27 0.00 1.51 0.45 -3.83 117.35 117.75 2jqa s TYR 48 Ca -0.00 -0.10 -0.25 0.00 -1.01 0.00 0.00 57.07 55.70 2jqa s TYR 48 Cb -0.13 -1.64 0.08 0.00 -0.11 0.00 0.00 41.96 40.15 2jqa s TYR 48 CO 0.03 0.24 0.76 -1.64 -1.11 0.00 0.00 175.55 173.83 2jqa s MET 49 N -0.82 0.80 -0.11 -0.62 -1.94 -0.74 -2.92 119.30 112.95 2jqa s MET 49 Ca 0.12 0.93 0.02 0.00 -1.71 0.00 0.00 55.69 55.06 2jqa s MET 49 Cb -0.11 0.39 0.01 0.00 2.01 0.00 0.00 34.83 37.13 2jqa s MET 49 CO 0.01 -0.10 -0.17 0.99 -0.01 0.00 0.00 175.02 175.74 2jqa s THR 50 N 0.34 1.63 -0.30 2.05 2.01 -1.22 -0.92 115.64 119.23 2jqa s THR 50 Ca 0.00 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 2jqa s THR 50 Cb -0.05 -1.47 0.10 0.00 0.01 0.00 0.00 72.50 71.09 2jqa s THR 50 CO 0.00 0.47 0.09 -0.76 -0.69 0.00 0.00 174.62 173.73 2jqa s LEU 51 N 0.84 2.35 -0.09 4.42 1.02 -0.81 -1.27 118.68 125.14 2jqa s LEU 51 Ca -0.09 -1.62 -0.03 0.00 0.02 0.00 0.00 54.13 52.40 2jqa s LEU 51 Cb -0.15 -0.90 0.05 0.00 0.02 0.00 0.00 46.19 45.20 2jqa s LEU 51 CO 0.00 -0.40 0.17 0.28 0.02 0.00 0.00 176.35 176.41 2jqa s THR 52 N 1.58 -0.25 -0.20 5.49 -1.32 -1.26 -2.52 115.64 117.16 2jqa s THR 52 Ca 0.09 0.33 -0.17 0.00 -1.21 0.00 0.00 61.69 60.73 2jqa s THR 52 Cb -0.17 -0.30 -0.04 0.00 -1.51 0.00 0.00 72.50 70.48 2jqa s THR 52 CO -0.23 0.14 0.43 0.21 -2.21 0.00 0.00 174.62 172.96 2jqa s ASN 53 N 2.17 6.48 -0.20 8.08 2.47 -1.25 -3.72 114.94 128.96 2jqa s ASN 53 Ca 0.02 0.57 0.01 0.00 0.42 0.00 0.00 52.86 53.87 2jqa s ASN 53 Cb -0.12 -2.25 0.27 0.00 -1.45 0.00 0.00 41.25 37.70 2jqa s ASN 53 CO -0.06 -0.10 1.46 2.29 -3.72 0.00 0.00 177.10 176.97 2jqa n LYS 54 N 4.52 1.54 -2.19 0.43 0.00 -1.26 -4.53 118.16 116.66 2jqa n LYS 54 Ca -0.07 -1.26 -0.01 0.00 -0.00 0.00 0.00 58.31 56.96 2jqa n LYS 54 Cb 0.51 -1.49 0.01 0.00 -0.00 0.00 0.00 35.03 34.05 2jqa n LYS 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2jqa n SER 55 N -0.10 -0.62 -2.33 -5.58 2.88 -1.26 -5.06 113.62 101.54 2jqa n SER 55 Ca 0.25 -1.35 -0.30 0.00 -1.33 0.00 0.00 58.87 56.14 2jqa n SER 55 Cb 0.94 1.02 0.03 0.00 -0.75 0.00 0.00 64.21 65.45 2jqa n SER 55 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2jqa n ASP 56 N -0.89 5.96 -3.19 -3.46 -0.08 -1.26 -4.53 116.55 109.09 2jqa n ASP 56 Ca -0.01 -3.77 -0.22 0.00 -1.51 0.00 0.00 54.79 49.28 2jqa n ASP 56 Cb 0.20 -0.63 -0.05 0.00 2.34 0.00 0.00 41.12 42.97 2jqa n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jqa n GLN 57 N -0.68 1.08 -1.92 -0.67 10.64 -1.26 -5.14 117.38 119.42 2jqa n GLN 57 Ca 0.49 -3.47 -0.29 0.00 -1.83 0.00 0.00 57.00 51.90 2jqa n GLN 57 Cb 0.71 -1.55 0.12 0.00 -0.86 0.00 0.00 30.24 28.67 2jqa n GLN 57 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2jqa s PRO 58 N -1.93 1.51 0.08 2.61 0.04 -1.26 -4.85 135.00 131.20 2jqa s PRO 58 Ca 0.38 -0.08 0.03 0.00 0.04 0.00 0.00 61.00 61.37 2jqa s PRO 58 Cb 0.25 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 2jqa s PRO 58 CO -0.09 -1.87 0.10 0.42 0.04 0.00 0.00 177.00 175.59 2jqa s ILE 59 N -3.68 4.63 -0.51 0.56 -1.09 -1.26 -5.05 121.20 114.80 2jqa s ILE 59 Ca 0.66 -0.73 0.03 0.00 -2.23 0.00 0.00 60.65 58.38 2jqa s ILE 59 Cb -0.09 -3.24 0.14 0.00 -1.58 0.00 0.00 42.46 37.70 2jqa s ILE 59 CO 0.50 0.12 0.31 -1.59 -1.23 0.00 0.00 174.94 173.05 2jqa s LYS 60 N -2.43 1.66 0.00 2.79 0.00 -1.26 -2.89 119.74 117.61 2jqa s LYS 60 Ca 0.30 -2.44 0.00 0.00 0.00 0.00 0.00 55.97 53.83 2jqa s LYS 60 Cb -0.12 -2.71 0.00 0.00 0.00 0.00 0.00 37.83 35.00 2jqa s LYS 60 CO 0.23 -1.20 0.00 -0.11 0.00 0.00 0.00 175.35 174.27 2jqa n LEU 61 N 3.05 0.00 0.00 2.77 7.94 -0.05 -4.63 117.00 126.08 2jqa n LEU 61 Ca 0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 2jqa n LEU 61 Cb 0.35 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.30 2jqa n LEU 61 CO 0.26 0.00 0.00 0.52 -1.11 0.00 0.00 177.39 177.06 2jqa n VAL 62 N 0.00 0.00 0.00 1.96 0.31 0.38 -0.56 118.33 120.42 2jqa n VAL 62 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2jqa n VAL 62 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2jqa n VAL 62 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jqa n GLY 63 N 0.00 0.06 3.18 2.92 0.00 -1.24 -2.42 105.19 107.69 2jqa n GLY 63 Ca 0.00 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.89 -0.63 0.07 4.61 0.00 -1.26 -3.04 121.76 119.62 2jqa s ALA 64 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2jqa s ALA 64 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 2jqa s ALA 64 CO 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 175.76 175.56 2jqa n ALA 65 N 1.73 0.09 -3.40 0.00 0.00 0.00 -4.97 120.51 113.96 2jqa n ALA 65 Ca -0.20 -0.35 -0.13 0.00 0.00 0.00 0.00 53.44 52.77 2jqa n ALA 65 Cb 0.56 0.22 -0.09 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.67 -0.00 -1.72 0.00 -1.32 -1.26 -1.23 115.64 108.45 2jqa s THR 66 Ca 0.03 0.01 0.30 0.00 -1.21 0.00 0.00 61.69 60.81 2jqa s THR 66 Cb 0.00 -0.67 0.55 0.00 -1.51 0.00 0.00 72.50 70.87 2jqa s THR 66 CO 0.02 0.00 1.95 -0.81 -2.21 0.00 0.00 174.62 173.57 2jqa n PRO 67 N 2.93 0.75 -0.03 7.08 -0.04 -1.26 -3.88 135.00 140.55 2jqa n PRO 67 Ca -0.14 -0.19 -0.13 0.00 -0.04 0.00 0.00 63.50 62.99 2jqa n PRO 67 Cb 0.57 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.47 0.12 -9.11 1.53 3.38 -1.89 -3.43 115.31 106.39 2jqa h LEU 68 Ca 0.00 -0.54 -0.56 0.00 0.09 0.00 0.00 57.88 56.87 2jqa h LEU 68 Cb 0.29 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2jqa h LEU 68 CO 0.00 0.64 1.04 0.00 0.09 0.00 0.00 178.44 180.21 2jqa s ALA 69 N -4.06 3.46 0.44 1.53 0.00 -1.25 -4.09 121.76 117.78 2jqa s ALA 69 Ca -0.16 0.53 0.18 0.00 0.00 0.00 0.00 51.96 52.52 2jqa s ALA 69 Cb 0.02 -3.76 1.12 0.00 0.00 0.00 0.00 23.12 20.50 2jqa s ALA 69 CO 0.70 -1.61 1.89 0.00 0.00 0.00 0.00 175.76 176.74 2jqa h THR 70 N 5.83 0.71 -3.19 0.00 1.03 -0.29 -3.28 112.91 113.72 2jqa h THR 70 Ca -0.32 -0.12 -0.44 0.00 -0.01 0.00 0.00 66.41 65.52 2jqa h THR 70 Cb 1.14 0.32 -0.40 0.00 -1.07 0.00 0.00 68.15 68.14 2jqa h THR 70 CO 0.99 0.07 -0.75 -0.55 -0.01 0.00 0.00 175.52 175.26 2jqa s SER 71 N -5.77 1.97 0.26 0.00 0.15 -0.52 -5.04 113.70 104.75 2jqa s SER 71 Ca -0.08 -0.37 -0.26 0.00 0.70 0.00 0.00 55.95 55.94 2jqa s SER 71 Cb 0.22 -0.29 -0.09 0.00 -1.71 0.00 0.00 66.02 64.14 2jqa s SER 71 CO 0.77 -0.29 0.89 -2.16 1.20 0.00 0.00 173.24 173.65 2jqa s PRO 72 N 2.08 4.63 -0.20 5.44 0.04 -1.24 -1.22 135.00 144.53 2jqa s PRO 72 Ca 0.03 1.30 -0.04 0.00 0.04 0.00 0.00 61.00 62.33 2jqa s PRO 72 Cb -0.14 -3.04 0.07 0.00 0.04 0.00 0.00 34.50 31.43 2jqa s PRO 72 CO -0.07 0.42 0.08 1.41 0.04 0.00 0.00 177.00 178.88 2jqa s MET 73 N -1.62 0.31 -1.22 4.56 1.75 0.09 -4.97 119.30 118.19 2jqa s MET 73 Ca 0.44 -0.31 -0.05 0.00 -1.25 0.00 0.00 55.69 54.52 2jqa s MET 73 Cb -0.21 -1.84 0.13 0.00 2.84 0.00 0.00 34.83 35.75 2jqa s MET 73 CO 0.26 -0.73 2.38 1.28 -0.65 0.00 0.00 175.02 177.56 2jqa n LEU 74 N 5.18 7.87 -2.08 4.11 4.77 -1.26 -0.98 117.00 134.61 2jqa n LEU 74 Ca -0.07 -4.86 -0.21 0.00 -0.03 0.00 0.00 56.01 50.84 2jqa n LEU 74 Cb 0.47 -1.33 0.15 0.00 -2.33 0.00 0.00 43.42 40.38 2jqa n LEU 74 CO 0.10 2.03 1.20 1.15 -1.33 0.00 0.00 177.39 180.54 2jqa n MET 75 N 1.50 2.11 -2.08 3.23 0.00 -0.98 -0.58 117.12 120.31 2jqa n MET 75 Ca 0.60 -2.63 -0.31 0.00 0.00 0.00 0.00 57.70 55.36 2jqa n MET 75 Cb 0.27 -2.03 -0.01 0.00 0.00 0.00 0.00 33.22 31.46 2jqa n MET 75 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2jqa s THR 76 N -2.94 4.59 -0.06 3.17 -1.32 -0.89 -4.11 115.64 114.07 2jqa s THR 76 Ca 0.50 1.01 -0.04 0.00 -1.21 0.00 0.00 61.69 61.95 2jqa s THR 76 Cb 0.42 -3.78 0.03 0.00 -1.51 0.00 0.00 72.50 67.66 2jqa s THR 76 CO 0.09 -0.94 0.15 -0.89 -2.21 0.00 0.00 174.62 170.82 2jqa s THR 77 N -2.93 -0.03 -0.18 5.08 2.01 -1.26 -0.53 115.64 117.80 2jqa s THR 77 Ca 0.57 0.12 -0.25 0.00 0.31 0.00 0.00 61.69 62.44 2jqa s THR 77 Cb -0.11 -0.23 0.06 0.00 0.01 0.00 0.00 72.50 72.23 2jqa s THR 77 CO 0.44 0.05 0.65 0.28 -0.69 0.00 0.00 174.62 175.35 2jqa s THR 78 N 0.80 0.00 -0.25 -0.82 -1.32 -0.53 -4.24 115.64 109.28 2jqa s THR 78 Ca -0.06 -0.02 -0.04 0.00 -1.21 0.00 0.00 61.69 60.36 2jqa s THR 78 Cb -0.08 -0.92 0.09 0.00 -1.51 0.00 0.00 72.50 70.08 2jqa s THR 78 CO -0.04 -0.01 0.15 -2.28 -2.21 0.00 0.00 174.62 170.23 2jqa s HIS 79 N -0.15 0.12 0.00 9.09 2.46 -1.26 -0.82 115.29 124.73 2jqa s HIS 79 Ca -0.04 -0.53 0.00 0.00 0.47 0.00 0.00 55.06 54.96 2jqa s HIS 79 Cb -0.03 -0.74 0.00 0.00 -0.13 0.00 0.00 32.58 31.68 2jqa s HIS 79 CO 0.04 -0.74 0.00 0.45 -2.47 0.00 0.00 174.74 172.02 2jqa n SER 80 N 5.27 0.00 -3.92 9.88 2.88 -1.26 -5.08 113.62 121.39 2jqa n SER 80 Ca -0.06 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.38 2jqa n SER 80 Cb 0.45 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.80 2jqa n SER 80 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2jqa s GLY 81 N 0.00 0.11 0.00 0.46 0.00 -1.26 -4.95 107.32 101.69 2jqa s GLY 81 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.46 2jqa s GLY 81 CO 0.00 -0.33 0.00 0.61 0.00 0.00 0.00 173.10 173.38 2jqa n GLY 82 N 2.00 1.99 3.64 0.20 0.00 -1.26 -4.65 105.19 107.11 2jqa n GLY 82 Ca -0.20 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 0.65 0.17 1.61 0.00 -1.26 -4.95 119.30 115.52 2jqa s MET 83 Ca 0.00 0.89 0.09 0.00 0.00 0.00 0.00 55.69 56.66 2jqa s MET 83 Cb 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 34.83 35.04 2jqa s MET 83 CO 0.00 -0.10 -0.18 0.00 0.00 0.00 0.00 175.02 174.74 2jqa s ALA 84 N 0.76 2.02 -0.30 4.11 0.00 -1.26 -4.59 121.76 122.50 2jqa s ALA 84 Ca -0.03 -1.50 -0.18 0.00 0.00 0.00 0.00 51.96 50.26 2jqa s ALA 84 Cb -0.05 -0.19 0.19 0.00 0.00 0.00 0.00 23.12 23.08 2jqa s ALA 84 CO -0.08 0.24 1.23 0.20 0.00 0.00 0.00 175.76 177.35 2jqa s GLY 85 N -2.68 0.45 -0.12 0.00 0.00 0.00 -5.01 107.32 99.97 2jqa s GLY 85 Ca 0.16 3.63 0.03 0.00 0.00 0.00 0.00 44.72 48.54 2jqa s GLY 85 CO 0.07 2.57 -0.22 -3.16 0.00 0.00 0.00 173.10 172.35 2jqa s MET 86 N 0.89 3.05 -1.11 2.90 0.00 -1.26 -1.45 119.30 122.32 2jqa s MET 86 Ca -0.05 -0.86 0.00 0.00 0.00 0.00 0.00 55.69 54.78 2jqa s MET 86 Cb -0.03 -2.39 0.00 0.00 0.00 0.00 0.00 34.83 32.41 2jqa s MET 86 CO -0.11 0.07 0.00 1.17 0.00 0.00 0.00 175.02 176.15 2jqa n LYS 87 N 3.82 -1.49 -3.57 3.16 4.81 0.31 -4.93 118.16 120.27 2jqa n LYS 87 Ca -0.19 0.62 -0.29 0.00 -0.87 0.00 0.00 58.31 57.58 2jqa n LYS 87 Cb 0.52 -4.91 -0.15 0.00 0.02 0.00 0.00 35.03 30.51 2jqa n LYS 87 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 2jqa s MET 88 N -3.41 0.35 0.32 1.64 -1.94 -1.10 -4.48 119.30 110.69 2jqa s MET 88 Ca 0.00 -0.75 0.00 0.00 -1.71 0.00 0.00 55.69 53.23 2jqa s MET 88 Cb 0.00 -1.36 0.00 0.00 2.01 0.00 0.00 34.83 35.48 2jqa s MET 88 CO 0.00 -1.04 0.00 1.33 -0.01 0.00 0.00 175.02 175.30 2jqa n VAL 89 N 5.02 -2.18 -1.23 -6.03 0.24 0.25 -4.82 118.33 109.58 2jqa n VAL 89 Ca -0.03 0.98 -0.29 0.00 -2.04 0.00 0.00 64.34 62.97 2jqa n VAL 89 Cb 0.41 -1.51 0.17 0.00 -1.47 0.00 0.00 33.84 31.44 2jqa n VAL 89 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2jqa s PRO 90 N -4.76 0.49 0.07 7.34 0.04 -1.26 -4.75 135.00 132.18 2jqa s PRO 90 Ca 0.00 0.46 0.09 0.00 0.04 0.00 0.00 61.00 61.59 2jqa s PRO 90 Cb 0.00 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 2jqa s PRO 90 CO 0.00 -2.68 -0.24 1.67 0.04 0.00 0.00 177.00 175.79 2jqa s TRP 91 N -3.02 2.11 0.00 0.56 -2.14 -1.02 -4.77 118.94 110.67 2jqa s TRP 91 Ca 0.65 -0.40 0.00 0.00 2.66 0.00 0.00 56.10 59.02 2jqa s TRP 91 Cb -0.18 -1.22 0.00 0.00 -3.10 0.00 0.00 33.47 28.97 2jqa s TRP 91 CO 0.57 0.18 0.00 1.47 -2.66 0.00 0.00 176.95 176.51 2jqa n LEU 92 N 1.50 0.00 0.06 -4.66 -0.00 -1.24 -3.88 117.00 108.79 2jqa n LEU 92 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 2jqa n LEU 92 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 2jqa n LEU 92 CO 0.23 0.00 0.00 0.41 -0.00 0.00 0.00 177.39 178.03 2jqa n THR 93 N -0.13 0.00 -3.15 1.47 -1.04 -1.14 -0.47 114.28 109.82 2jqa n THR 93 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 2jqa n THR 93 Cb 0.00 -0.36 -0.01 0.00 -1.82 0.00 0.00 70.33 68.14 2jqa n THR 93 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2jqa s ILE 94 N -2.00 -0.68 0.00 12.58 1.10 -1.22 -4.80 121.20 126.17 2jqa s ILE 94 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 2jqa s ILE 94 Cb 0.00 -0.96 0.00 0.00 0.15 0.00 0.00 42.46 41.65 2jqa s ILE 94 CO 0.00 0.00 1.01 -0.81 -2.11 0.00 0.00 174.94 173.03 2jqa n PRO 95 N 5.43 0.60 -2.05 3.50 -0.04 -1.26 -4.54 135.00 136.65 2jqa n PRO 95 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2jqa n PRO 95 Cb 0.53 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 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 1.37 -2.21 -0.02 0.55 0.00 -1.26 -4.48 120.51 114.45 2jqa n ALA 96 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2jqa n ALA 96 Cb 0.30 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.49 0.00 0.00 0.00 0.63 -1.26 -4.96 116.66 112.56 2jqa n ARG 97 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2jqa n ARG 97 Cb 0.00 -3.21 0.00 0.00 0.45 0.00 0.00 32.46 29.70 2jqa n ARG 97 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jqa n GLY 98 N -2.00 -2.19 2.70 5.14 0.00 -1.26 -5.02 105.19 102.56 2jqa n GLY 98 Ca 0.00 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 2jqa n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jqa s THR 99 N -0.63 -0.63 -0.12 2.61 2.01 -1.26 -4.63 115.64 112.99 2jqa s THR 99 Ca 0.00 -1.35 -0.20 0.00 0.31 0.00 0.00 61.69 60.45 2jqa s THR 99 Cb 0.00 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 2jqa s THR 99 CO 0.00 -0.34 0.55 -0.76 -0.69 0.00 0.00 174.62 173.38 2jqa s LEU 100 N 0.76 4.27 -0.21 4.42 2.01 -1.05 -4.94 118.68 123.94 2jqa s LEU 100 Ca 0.29 0.90 -0.27 0.00 0.01 0.00 0.00 54.13 55.06 2jqa s LEU 100 Cb -0.00 -2.81 0.11 0.00 0.01 0.00 0.00 46.19 43.49 2jqa s LEU 100 CO -0.09 -0.06 0.91 0.28 1.01 0.00 0.00 176.35 178.40 2jqa s THR 101 N 0.82 0.00 -0.18 5.49 -1.32 -1.26 -1.93 115.64 117.26 2jqa s THR 101 Ca 0.29 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.75 2jqa s THR 101 Cb -0.16 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.88 2jqa s THR 101 CO 0.12 0.00 0.00 -1.48 -2.21 0.00 0.00 174.62 171.06 2jqa s LEU 102 N -0.33 1.40 0.09 9.08 2.34 -0.09 -4.89 118.68 126.28 2jqa s LEU 102 Ca -0.01 -0.77 -0.15 0.00 0.06 0.00 0.00 54.13 53.26 2jqa s LEU 102 Cb -0.03 -0.72 0.03 0.00 -0.56 0.00 0.00 46.19 44.90 2jqa s LEU 102 CO -0.00 -0.26 0.35 -1.10 -1.06 0.00 0.00 176.35 174.28 2jqa s GLN 103 N 1.76 0.96 0.60 1.48 1.11 -1.06 -1.79 119.66 122.71 2jqa s GLN 103 Ca -0.01 -0.65 0.28 0.00 0.01 0.00 0.00 55.36 55.00 2jqa s GLN 103 Cb -0.16 0.42 1.38 0.00 -1.01 0.00 0.00 33.01 33.63 2jqa s GLN 103 CO -0.07 -0.35 1.78 0.07 0.01 0.00 0.00 175.29 176.73 2jqa h ARG 104 N 2.70 0.00 -0.98 2.91 -0.00 -1.95 0.89 114.38 117.94 2jqa h ARG 104 Ca -0.33 0.00 0.34 0.00 -0.00 0.00 0.00 59.98 59.99 2jqa h ARG 104 Cb 1.23 0.00 -0.17 0.00 -0.00 0.00 0.00 29.97 31.03 2jqa h ARG 104 CO 0.48 0.00 0.41 -0.44 -0.00 0.00 0.00 179.97 180.41 2jqa h ASP 105 N 0.00 0.17 0.00 0.08 5.19 -2.01 -3.32 116.42 116.54 2jqa h ASP 105 Ca 0.25 0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.90 2jqa h ASP 105 Cb 1.48 0.28 0.00 0.00 0.18 0.00 0.00 39.33 41.27 2jqa h ASP 105 CO -0.00 -0.31 -0.28 0.61 -3.12 0.00 0.00 179.24 176.14 2jqa n GLY 106 N -1.33 0.10 0.00 2.75 0.00 -0.45 -5.16 105.19 101.11 2jqa n GLY 106 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2jqa n GLY 106 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jqa n ASP 107 N -0.44 0.00 -0.96 1.61 -0.08 0.18 -4.13 116.55 112.72 2jqa n ASP 107 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2jqa n ASP 107 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2jqa n ASP 107 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jqa n HIS 108 N -1.30 -0.78 -3.47 -0.67 1.44 -1.26 -2.57 115.22 106.61 2jqa n HIS 108 Ca 0.00 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.33 2jqa n HIS 108 Cb 0.00 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 2jqa n HIS 108 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2jqa s VAL 109 N -2.80 5.25 0.07 0.61 0.11 -1.25 -2.11 120.40 120.28 2jqa s VAL 109 Ca 0.00 0.52 -0.19 0.00 -2.93 0.00 0.00 61.98 59.38 2jqa s VAL 109 Cb 0.00 -3.65 -0.07 0.00 -1.53 0.00 0.00 36.38 31.13 2jqa s VAL 109 CO 0.00 0.27 0.55 -0.32 -3.33 0.00 0.00 175.10 172.27 2jqa s MET 110 N 1.35 4.16 -0.73 1.54 1.75 -0.15 -1.36 119.30 125.86 2jqa s MET 110 Ca 0.15 0.69 0.01 0.00 -1.25 0.00 0.00 55.69 55.28 2jqa s MET 110 Cb -0.15 -3.21 0.18 0.00 2.84 0.00 0.00 34.83 34.50 2jqa s MET 110 CO 0.07 0.63 0.56 -0.51 -0.65 0.00 0.00 175.02 175.12 2jqa s LEU 111 N -1.18 5.12 -0.19 4.11 1.02 0.50 -0.73 118.68 127.33 2jqa s LEU 111 Ca 0.29 -3.49 -0.25 0.00 0.02 0.00 0.00 54.13 50.70 2jqa s LEU 111 Cb -0.19 -1.78 -0.01 0.00 0.02 0.00 0.00 46.19 44.23 2jqa s LEU 111 CO 0.18 -0.20 0.83 -0.32 0.02 0.00 0.00 176.35 176.86 2jqa s MET 112 N -0.98 4.26 -0.19 1.70 1.75 -0.35 -1.25 119.30 124.24 2jqa s MET 112 Ca 0.23 0.98 -0.01 0.00 -1.25 0.00 0.00 55.69 55.64 2jqa s MET 112 Cb -0.12 -3.59 0.00 0.00 2.84 0.00 0.00 34.83 33.96 2jqa s MET 112 CO -0.10 -0.38 0.20 0.41 -0.65 0.00 0.00 175.02 174.50 2jqa n GLY 113 N 3.55 -0.67 0.32 2.11 0.00 -0.33 -1.44 105.19 108.74 2jqa n GLY 113 Ca 0.05 0.09 0.20 0.00 0.00 0.00 0.00 46.02 46.36 2jqa n GLY 113 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2jqa h LEU 114 N 0.28 0.24 0.00 0.99 8.10 -1.29 0.76 115.31 124.39 2jqa h LEU 114 Ca 0.00 0.21 0.00 0.00 0.11 0.00 0.00 57.88 58.20 2jqa h LEU 114 Cb 0.79 0.23 0.00 0.00 -0.44 0.00 0.00 40.66 41.23 2jqa h LEU 114 CO 0.08 -0.20 0.00 0.29 -4.11 0.00 0.00 178.44 174.50 2jqa n LYS 115 N -5.17 0.00 -3.91 0.17 4.76 -1.26 -3.87 118.16 108.88 2jqa n LYS 115 Ca 0.28 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.37 2jqa n LYS 115 Cb 0.90 -2.44 -0.14 0.00 -1.84 0.00 0.00 35.03 31.51 2jqa n LYS 115 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2jqa s ARG 116 N 0.00 3.32 0.17 1.97 6.06 -1.26 -5.12 118.95 124.09 2jqa s ARG 116 Ca 0.00 -0.66 -0.30 0.00 -2.50 0.00 0.00 55.73 52.27 2jqa s ARG 116 Cb 0.00 -3.01 -0.08 0.00 0.06 0.00 0.00 34.95 31.93 2jqa s ARG 116 CO 0.00 -0.22 1.15 -1.25 -2.50 0.00 0.00 175.30 172.48 2jqa s PRO 117 N 1.46 4.53 -0.12 5.12 0.04 -1.26 -5.05 135.00 139.73 2jqa s PRO 117 Ca 0.05 1.79 -0.07 0.00 0.04 0.00 0.00 61.00 62.81 2jqa s PRO 117 Cb -0.14 -3.27 0.05 0.00 0.04 0.00 0.00 34.50 31.17 2jqa s PRO 117 CO -0.04 -0.03 0.29 -0.51 0.04 0.00 0.00 177.00 176.75 2jqa s LEU 118 N -0.16 0.37 0.67 -3.56 1.43 -1.26 -5.17 118.68 111.00 2jqa s LEU 118 Ca 0.52 0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 54.17 2jqa s LEU 118 Cb -0.31 0.93 0.04 0.00 0.03 0.00 0.00 46.19 46.89 2jqa s LEU 118 CO 0.35 -0.16 0.99 -0.75 0.23 0.00 0.00 176.35 177.01 2jqa s LYS 119 N 1.11 2.45 0.00 1.70 2.20 -1.26 -4.53 119.74 121.41 2jqa s LYS 119 Ca -0.08 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.41 2jqa s LYS 119 Cb -0.08 -2.18 0.00 0.00 -1.51 0.00 0.00 37.83 34.05 2jqa s LYS 119 CO -0.08 -1.08 0.61 1.55 -0.36 0.00 0.00 175.35 175.99 2jqa n VAL 120 N -2.84 0.72 -2.01 4.02 3.14 -1.26 -1.41 118.33 118.70 2jqa n VAL 120 Ca 0.07 0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.71 2jqa n VAL 120 Cb 0.59 -1.26 0.00 0.00 -1.06 0.00 0.00 33.84 32.11 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 -1.11 0.54 3.84 7.55 0.00 -1.17 -3.66 105.19 111.19 2jqa n GLY 121 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 2jqa n GLY 121 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jqa s GLU 122 N 0.00 3.06 0.21 1.61 2.56 -0.50 -4.82 118.70 120.81 2jqa s GLU 122 Ca 0.00 0.79 -0.01 0.00 0.00 0.00 0.00 54.97 55.76 2jqa s GLU 122 Cb 0.00 -2.02 -0.04 0.00 2.00 0.00 0.00 34.13 34.08 2jqa s GLU 122 CO -0.00 -0.97 0.40 -0.08 -0.56 0.00 0.00 175.26 174.05 2jqa s THR 123 N -3.14 5.20 0.04 -1.70 -1.32 -1.26 -0.40 115.64 113.06 2jqa s THR 123 Ca 0.57 -0.37 -0.12 0.00 -1.21 0.00 0.00 61.69 60.56 2jqa s THR 123 Cb -0.13 -3.74 0.01 0.00 -1.51 0.00 0.00 72.50 67.14 2jqa s THR 123 CO 0.54 -0.19 0.27 0.54 -2.21 0.00 0.00 174.62 173.57 2jqa s VAL 124 N -1.89 0.09 -0.09 5.08 0.11 0.14 -4.90 120.40 118.94 2jqa s VAL 124 Ca 0.39 -0.74 -0.15 0.00 -2.93 0.00 0.00 61.98 58.54 2jqa s VAL 124 Cb -0.11 -0.92 -0.05 0.00 -1.53 0.00 0.00 36.38 33.77 2jqa s VAL 124 CO 0.29 -0.41 0.39 0.20 -3.33 0.00 0.00 175.10 172.24 2jqa s ASN 125 N -2.06 6.65 0.23 3.54 0.02 -1.26 -1.00 114.94 121.06 2jqa s ASN 125 Ca -0.05 0.77 0.01 0.00 -1.02 0.00 0.00 52.86 52.57 2jqa s ASN 125 Cb -0.01 -2.24 -0.05 0.00 0.02 0.00 0.00 41.25 38.97 2jqa s ASN 125 CO -0.03 0.16 0.06 -0.51 0.02 0.00 0.00 177.10 176.80 2jqa s ILE 126 N -0.09 0.60 -0.33 0.60 2.07 -0.33 -4.86 121.20 118.86 2jqa s ILE 126 Ca 0.22 -1.99 0.01 0.00 -1.41 0.00 0.00 60.65 57.48 2jqa s ILE 126 Cb -0.15 -2.44 0.10 0.00 0.13 0.00 0.00 42.46 40.10 2jqa s ILE 126 CO 0.09 -0.18 0.10 -0.89 -1.91 0.00 0.00 174.94 172.15 2jqa s THR 127 N -3.72 1.35 0.35 4.00 2.01 -0.36 -0.79 115.64 118.47 2jqa s THR 127 Ca 0.33 -1.79 -0.20 0.00 0.31 0.00 0.00 61.69 60.34 2jqa s THR 127 Cb 0.07 -2.01 -0.10 0.00 0.01 0.00 0.00 72.50 70.48 2jqa s THR 127 CO 0.10 -0.67 0.86 -0.76 -0.69 0.00 0.00 174.62 173.46 2jqa s LEU 128 N 1.29 4.11 0.03 4.42 1.02 -0.89 -0.82 118.68 127.83 2jqa s LEU 128 Ca 0.11 1.57 -0.07 0.00 0.02 0.00 0.00 54.13 55.77 2jqa s LEU 128 Cb -0.18 -4.19 -0.01 0.00 0.02 0.00 0.00 46.19 41.83 2jqa s LEU 128 CO -0.18 -0.21 0.12 -0.54 0.02 0.00 0.00 176.35 175.56 2jqa s LYS 129 N -2.74 0.58 0.51 1.70 1.02 -1.17 -1.31 119.74 118.32 2jqa s LYS 129 Ca 0.55 -0.64 0.09 0.00 0.02 0.00 0.00 55.97 55.98 2jqa s LYS 129 Cb -0.12 0.23 0.05 0.00 -0.52 0.00 0.00 37.83 37.47 2jqa s LYS 129 CO 0.17 -0.15 0.65 0.00 -0.92 0.00 0.00 175.35 175.11 2jqa s ALA 130 N -2.29 4.58 0.37 5.17 0.00 -1.26 -3.46 121.76 124.86 2jqa s ALA 130 Ca -0.07 -1.90 0.18 0.00 0.00 0.00 0.00 51.96 50.16 2jqa s ALA 130 Cb -0.03 -1.43 1.12 0.00 0.00 0.00 0.00 23.12 22.79 2jqa s ALA 130 CO -0.03 -0.58 1.69 0.00 0.00 0.00 0.00 175.76 176.84 2jqa h THR 131 N 0.45 0.36 -0.58 0.00 1.03 -1.09 0.57 112.91 113.64 2jqa h THR 131 Ca -0.35 -0.12 -0.04 0.00 -0.01 0.00 0.00 66.41 65.90 2jqa h THR 131 Cb 1.28 -0.01 -0.02 0.00 -1.07 0.00 0.00 68.15 68.34 2jqa h THR 131 CO 0.45 0.06 0.05 -0.67 -0.01 0.00 0.00 175.52 175.40 2jqa n ASP 132 N -4.85 5.44 -0.42 0.00 2.03 -1.26 -4.92 116.55 112.57 2jqa n ASP 132 Ca 0.30 -2.94 -0.05 0.00 0.52 0.00 0.00 54.79 52.61 2jqa n ASP 132 Cb 1.00 -0.69 -0.02 0.00 -0.72 0.00 0.00 41.12 40.69 2jqa n ASP 132 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jqa n GLY 133 N 0.48 0.72 1.06 0.27 0.00 0.19 -4.90 105.19 103.01 2jqa n GLY 133 Ca 0.29 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 2jqa n GLY 133 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jqa n ARG 134 N -1.64 1.14 -3.92 1.61 0.63 -1.26 -4.49 116.66 108.73 2jqa n ARG 134 Ca -0.05 -0.27 -0.09 0.00 -0.92 0.00 0.00 57.85 56.52 2jqa n ARG 134 Cb 0.33 -1.15 -0.02 0.00 0.45 0.00 0.00 32.46 32.06 2jqa n ARG 134 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2jqa s THR 135 N -0.38 0.00 0.00 5.15 2.01 -1.26 -4.72 115.64 116.44 2jqa s THR 135 Ca 0.05 -1.19 0.00 0.00 0.31 0.00 0.00 61.69 60.86 2jqa s THR 135 Cb 0.04 -2.30 0.00 0.00 0.01 0.00 0.00 72.50 70.26 2jqa s THR 135 CO 0.01 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.94 2jqa n LEU 136 N -0.46 0.00 -4.53 4.42 -0.00 -0.43 -4.46 117.00 111.55 2jqa n LEU 136 Ca -0.04 0.00 -0.59 0.00 -0.00 0.00 0.00 56.01 55.38 2jqa n LEU 136 Cb 0.60 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.93 2jqa n LEU 136 CO 0.21 0.00 1.50 -3.20 -0.00 0.00 0.00 177.39 175.90 2jqa n ASN 137 N 0.00 1.57 -4.10 1.45 5.15 -1.26 -2.10 115.26 115.97 2jqa n ASN 137 Ca 0.00 0.85 -0.15 0.00 -0.60 0.00 0.00 54.58 54.68 2jqa n ASN 137 Cb 0.00 -1.03 -0.12 0.00 -0.53 0.00 0.00 39.78 38.10 2jqa n ASN 137 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2jqa s VAL 138 N 4.91 0.74 0.20 3.44 1.01 0.03 -4.31 120.40 126.42 2jqa s VAL 138 Ca 1.09 -1.15 -0.25 0.00 0.00 0.00 0.00 61.98 61.67 2jqa s VAL 138 Cb -1.26 -0.77 -0.08 0.00 0.00 0.00 0.00 36.38 34.27 2jqa s VAL 138 CO 0.66 -0.32 0.80 0.00 0.00 0.00 0.00 175.10 176.25 2jqa s ALA 139 N -1.32 3.41 0.24 5.51 0.00 -1.26 -1.19 121.76 127.15 2jqa s ALA 139 Ca -0.07 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 2jqa s ALA 139 Cb -0.10 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 2jqa s ALA 139 CO 0.01 0.28 0.44 0.00 0.00 0.00 0.00 175.76 176.49 2jqa s ALA 140 N -1.27 -0.08 0.08 0.00 0.00 -0.17 -4.86 121.76 115.47 2jqa s ALA 140 Ca 0.39 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.44 2jqa s ALA 140 Cb -0.22 1.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 2jqa s ALA 140 CO 0.26 -0.83 -0.16 0.99 0.00 0.00 0.00 175.76 176.02 2jqa s THR 141 N -4.02 1.31 -0.08 0.00 2.01 0.05 -0.68 115.64 114.22 2jqa s THR 141 Ca 0.24 -1.41 0.04 0.00 0.31 0.00 0.00 61.69 60.88 2jqa s THR 141 Cb 0.00 -1.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 2jqa s THR 141 CO 0.10 -0.19 -0.22 -0.69 -0.69 0.00 0.00 174.62 172.93 2jqa s VAL 142 N -1.29 2.32 0.00 3.82 1.01 0.47 -0.35 120.40 126.38 2jqa s VAL 142 Ca 0.01 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.12 2jqa s VAL 142 Cb -0.10 -1.89 0.12 0.00 0.00 0.00 0.00 36.38 34.52 2jqa s VAL 142 CO 0.03 0.56 0.95 1.17 0.00 0.00 0.00 175.10 177.81 2jqa n LYS 143 N 3.19 0.00 0.00 2.72 4.81 -0.65 -3.04 118.16 125.19 2jqa n LYS 143 Ca -0.18 -1.10 0.00 0.00 -0.87 0.00 0.00 58.31 56.16 2jqa n LYS 143 Cb 0.52 0.12 0.00 0.00 0.02 0.00 0.00 35.03 35.70 2jqa n LYS 143 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2jqa n LYS 144 N 0.14 0.00 -3.43 1.64 2.85 -1.25 -4.92 118.16 113.20 2jqa n LYS 144 Ca -0.09 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.79 2jqa n LYS 144 Cb 0.79 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 35.09 2jqa n LYS 144 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 2jqa s ASN 145 N 0.00 6.31 0.59 -5.58 3.84 -0.83 -4.00 114.94 115.27 2jqa s ASN 145 Ca 0.00 0.36 0.31 0.00 0.21 0.00 0.00 52.86 53.73 2jqa s ASN 145 Cb 0.00 -2.20 1.86 0.00 -0.55 0.00 0.00 41.25 40.35 2jqa s ASN 145 CO 0.00 -0.11 2.26 0.40 -2.79 0.00 0.00 177.10 176.87 2jqa h ILE 146 N 5.19 0.50 0.00 -5.21 1.08 -1.94 -2.10 117.51 115.03 2jqa h ILE 146 Ca -0.34 -0.01 -0.03 0.00 -0.39 0.00 0.00 64.86 64.08 2jqa h ILE 146 Cb 1.16 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.91 2jqa h ILE 146 CO 0.68 0.00 -0.73 -0.08 -0.69 0.00 0.00 178.15 177.32 2jqa h GLU 147 N 0.00 0.00 0.00 2.37 4.81 -1.97 -3.46 114.58 116.33 2jqa h GLU 147 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jqa h GLU 147 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2jqa h GLU 147 CO 0.00 0.09 0.00 0.41 -0.73 0.00 0.00 179.01 178.78 2jqa n GLY 148 N 1.19 0.61 0.24 1.92 0.00 -0.79 -5.24 105.19 103.13 2jqa n GLY 148 Ca -0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2jqa n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19