#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afj s THR 2 N 0.00 -0.50 0.40 0.00 -4.23 -1.25 -1.73 115.64 108.33 1afj s THR 2 Ca 0.00 -0.74 0.08 0.00 -1.18 0.00 0.00 61.69 59.85 1afj s THR 2 Cb 0.00 -0.51 -0.04 0.00 1.34 0.00 0.00 72.50 73.30 1afj s THR 2 CO 0.00 -0.43 0.28 -1.10 -0.54 0.00 0.00 174.62 172.82 1afj s GLN 3 N 1.54 2.41 -0.08 3.99 -1.52 -0.40 -4.86 119.66 120.74 1afj s GLN 3 Ca 0.17 -1.65 -0.03 0.00 -1.95 0.00 0.00 55.36 51.90 1afj s GLN 3 Cb -0.12 -2.21 0.04 0.00 -0.22 0.00 0.00 33.01 30.50 1afj s GLN 3 CO -0.04 -0.12 0.17 0.99 -0.25 0.00 0.00 175.29 176.03 1afj s THR 4 N -2.51 -0.15 0.30 -0.19 2.01 -1.26 -0.76 115.64 113.07 1afj s THR 4 Ca 0.44 0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.72 1afj s THR 4 Cb -0.00 -0.29 -0.06 0.00 0.01 0.00 0.00 72.50 72.16 1afj s THR 4 CO 0.25 0.10 0.07 -0.69 -0.69 0.00 0.00 174.62 173.66 1afj s VAL 5 N 1.69 0.98 0.24 3.82 1.01 -0.53 -4.87 120.40 122.75 1afj s VAL 5 Ca -0.04 -2.00 0.08 0.00 0.00 0.00 0.00 61.98 60.02 1afj s VAL 5 Cb -0.12 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1afj s VAL 5 CO -0.06 -0.02 0.11 0.28 0.00 0.00 0.00 175.10 175.40 1afj s THR 6 N -3.45 4.04 0.07 3.92 -1.32 -1.26 -1.26 115.64 116.38 1afj s THR 6 Ca 0.36 -1.56 0.03 0.00 -1.21 0.00 0.00 61.69 59.32 1afj s THR 6 Cb 0.08 -3.16 -0.03 0.00 -1.51 0.00 0.00 72.50 67.88 1afj s THR 6 CO 0.14 -0.32 -0.10 -0.76 -2.21 0.00 0.00 174.62 171.37 1afj s LEU 7 N -3.66 2.32 -0.31 9.08 1.02 0.36 -1.92 118.68 125.55 1afj s LEU 7 Ca 0.32 -0.67 0.02 0.00 0.02 0.00 0.00 54.13 53.82 1afj s LEU 7 Cb -0.08 -0.30 0.09 0.00 0.02 0.00 0.00 46.19 45.92 1afj s LEU 7 CO 0.23 -0.20 0.04 0.00 0.02 0.00 0.00 176.35 176.44 1afj s ALA 8 N -1.76 2.27 -0.64 4.21 0.00 -0.67 -1.20 121.76 123.96 1afj s ALA 8 Ca -0.02 -2.02 -0.05 0.00 0.00 0.00 0.00 51.96 49.88 1afj s ALA 8 Cb -0.07 -1.75 0.17 0.00 0.00 0.00 0.00 23.12 21.47 1afj s ALA 8 CO 0.01 -1.58 0.47 0.54 0.00 0.00 0.00 175.76 175.20 1afj s VAL 9 N 1.23 4.00 -0.86 0.00 0.11 -1.26 -0.68 120.40 122.94 1afj s VAL 9 Ca 0.07 -2.79 0.12 0.00 -2.93 0.00 0.00 61.98 56.45 1afj s VAL 9 Cb -0.18 -3.59 0.11 0.00 -1.53 0.00 0.00 36.38 31.19 1afj s VAL 9 CO -0.13 -0.89 1.38 -0.81 -3.33 0.00 0.00 175.10 171.32 1afj n PRO 10 N 3.67 0.04 0.00 1.54 -0.04 -1.26 -2.16 135.00 136.79 1afj n PRO 10 Ca 0.07 0.38 0.06 0.00 -0.04 0.00 0.00 63.50 63.97 1afj n PRO 10 Cb 0.39 -1.59 0.30 0.00 -0.04 0.00 0.00 33.50 32.56 1afj n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1afj n GLY 11 N -0.54 -0.75 3.14 0.55 0.00 -1.26 -4.70 105.19 101.63 1afj n GLY 11 Ca 0.02 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1afj n GLY 11 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1afj s MET 12 N -2.68 0.75 0.00 1.61 0.23 -0.92 -4.90 119.30 113.39 1afj s MET 12 Ca 0.10 -1.21 0.00 0.00 -1.03 0.00 0.00 55.69 53.55 1afj s MET 12 Cb 0.08 -0.16 0.00 0.00 -1.53 0.00 0.00 34.83 33.22 1afj s MET 12 CO 0.20 -0.02 0.00 -2.37 -2.03 0.00 0.00 175.02 170.80 1afj n THR 13 N 0.26 0.00 -3.64 3.16 5.66 -1.26 -4.76 114.28 113.70 1afj n THR 13 Ca -0.14 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.81 1afj n THR 13 Cb 0.60 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.32 1afj n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1afj n ALA 15 N 4.60 0.57 0.00 0.00 0.00 -1.26 -2.82 120.51 121.59 1afj n ALA 15 Ca -0.17 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1afj n ALA 15 Cb 0.56 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1afj n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1afj n ALA 16 N 3.80 0.00 0.04 0.00 0.00 -1.26 -4.98 120.51 118.11 1afj n ALA 16 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.42 1afj n ALA 16 Cb 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.60 1afj n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1afj h PRO 18 N -0.34 -0.55 -0.47 0.00 0.11 -1.88 0.12 132.00 128.99 1afj h PRO 18 Ca -0.20 0.04 0.14 0.00 0.11 0.00 0.00 66.00 66.08 1afj h PRO 18 Cb 1.70 0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.92 1afj h PRO 18 CO 0.12 -0.37 0.41 0.82 -0.21 0.00 0.00 178.00 178.77 1afj h ILE 19 N -0.57 0.54 -0.04 4.15 2.04 -1.85 0.33 117.51 122.09 1afj h ILE 19 Ca 0.03 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.79 1afj h ILE 19 Cb 0.60 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1afj h ILE 19 CO -0.19 0.00 -0.44 0.74 0.00 0.00 0.00 178.15 178.26 1afj h THR 20 N 0.00 1.32 -0.20 -0.27 2.02 -0.78 -1.99 112.91 113.01 1afj h THR 20 Ca 0.22 -1.55 -0.07 0.00 0.77 0.00 0.00 66.41 65.78 1afj h THR 20 Cb 1.04 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 1afj h THR 20 CO -0.00 0.45 -0.19 0.58 0.37 0.00 0.00 175.52 176.73 1afj h VAL 21 N 0.08 1.23 -0.12 3.16 2.07 0.21 0.07 116.25 122.96 1afj h VAL 21 Ca 0.00 -1.06 -0.12 0.00 0.82 0.00 0.00 66.70 66.34 1afj h VAL 21 Cb 0.81 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1afj h VAL 21 CO 0.06 0.33 -0.47 0.50 0.02 0.00 0.00 177.57 178.01 1afj h LYS 22 N 0.33 0.30 0.00 1.57 3.64 -1.23 -2.46 116.57 118.72 1afj h LYS 22 Ca 0.06 -0.16 -0.14 0.00 -1.27 0.00 0.00 60.65 59.14 1afj h LYS 22 Cb 0.53 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1afj h LYS 22 CO 0.03 0.71 -0.65 0.87 -2.27 0.00 0.00 179.45 178.15 1afj h LYS 23 N 0.24 0.00 -0.29 1.90 1.79 -0.87 -2.08 116.57 117.26 1afj h LYS 23 Ca 0.01 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1afj h LYS 23 Cb 0.93 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.57 1afj h LYS 23 CO 0.08 0.65 0.13 0.00 -1.08 0.00 0.00 179.45 179.22 1afj h ALA 24 N 1.35 0.38 -0.08 3.86 0.00 -0.55 -0.86 119.26 123.36 1afj h ALA 24 Ca -0.01 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1afj h ALA 24 Cb 1.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1afj h ALA 24 CO 0.08 -0.04 -0.66 -0.07 0.00 0.00 0.00 179.25 178.56 1afj h LEU 25 N 0.33 0.36 -1.99 0.00 3.38 -1.47 1.27 115.31 117.19 1afj h LEU 25 Ca 0.10 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1afj h LEU 25 Cb 0.15 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1afj h LEU 25 CO -0.01 0.92 0.00 -1.28 0.09 0.00 0.00 178.44 178.16 1afj h SER 26 N 0.22 0.00 0.00 -0.43 0.87 -0.99 -2.64 113.55 110.58 1afj h SER 26 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1afj h SER 26 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1afj h SER 26 CO 0.11 0.00 0.00 2.29 -0.53 0.00 0.00 176.83 178.70 1afj n LYS 27 N -2.87 1.50 -0.11 2.24 -0.00 -0.36 -4.83 118.16 113.73 1afj n LYS 27 Ca -0.01 -1.00 -0.06 0.00 -0.00 0.00 0.00 58.31 57.24 1afj n LYS 27 Cb 0.16 -0.81 0.00 0.00 -0.00 0.00 0.00 35.03 34.39 1afj n LYS 27 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 1afj h VAL 28 N 1.03 0.35 0.00 0.58 3.04 0.20 -3.46 116.25 117.99 1afj h VAL 28 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1afj h VAL 28 Cb 0.62 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.25 1afj h VAL 28 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.57 174.72 1afj n GLU 29 N -5.39 0.00 0.00 4.17 0.28 -1.26 -4.95 120.64 113.48 1afj n GLU 29 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 1afj n GLU 29 Cb 0.31 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.18 1afj n GLU 29 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1afj n GLY 30 N 0.00 -0.37 3.53 -1.84 0.00 -1.26 -4.95 105.19 100.30 1afj n GLY 30 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.46 1afj n GLY 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1afj n VAL 31 N -0.08 0.09 0.34 1.61 0.31 -1.26 -3.17 118.33 116.18 1afj n VAL 31 Ca 0.00 -0.02 0.05 0.00 -0.01 0.00 0.00 64.34 64.36 1afj n VAL 31 Cb 0.12 -0.28 -0.07 0.00 -0.91 0.00 0.00 33.84 32.69 1afj n VAL 31 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1afj n SER 32 N 1.85 1.17 -3.60 4.52 7.64 -0.44 -4.90 113.62 119.86 1afj n SER 32 Ca 0.19 -0.50 -0.08 0.00 1.01 0.00 0.00 58.87 59.49 1afj n SER 32 Cb 0.13 1.18 -0.02 0.00 -1.01 0.00 0.00 64.21 64.49 1afj n SER 32 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1afj s LYS 33 N -2.31 1.22 0.15 1.43 2.47 -1.09 -4.95 119.74 116.67 1afj s LYS 33 Ca 0.01 -0.56 -0.15 0.00 -1.56 0.00 0.00 55.97 53.71 1afj s LYS 33 Cb 0.08 0.49 0.02 0.00 -1.46 0.00 0.00 37.83 36.96 1afj s LYS 33 CO 0.46 -0.55 0.40 0.54 0.16 0.00 0.00 175.35 176.37 1afj s VAL 34 N -3.49 0.06 -0.42 4.02 0.11 -1.26 -1.64 120.40 117.77 1afj s VAL 34 Ca 0.07 -0.79 -0.00 0.00 -2.93 0.00 0.00 61.98 58.32 1afj s VAL 34 Cb -0.02 -1.39 0.20 0.00 -1.53 0.00 0.00 36.38 33.64 1afj s VAL 34 CO -0.05 -0.29 0.93 -1.81 -3.33 0.00 0.00 175.10 170.56 1afj s ASP 35 N -2.85 -0.83 0.34 3.54 1.01 0.22 -4.93 116.67 113.16 1afj s ASP 35 Ca 0.07 -0.98 0.08 0.00 0.71 0.00 0.00 52.55 52.42 1afj s ASP 35 Cb 0.02 1.08 -0.03 0.00 1.01 0.00 0.00 42.92 44.99 1afj s ASP 35 CO -0.08 -0.03 0.23 -0.69 0.21 0.00 0.00 175.17 174.82 1afj s VAL 36 N 0.94 3.35 -0.26 -1.27 1.01 -1.26 -1.38 120.40 121.53 1afj s VAL 36 Ca 0.26 -1.50 0.01 0.00 0.00 0.00 0.00 61.98 60.75 1afj s VAL 36 Cb 0.07 -3.11 0.07 0.00 0.00 0.00 0.00 36.38 33.41 1afj s VAL 36 CO -0.08 -0.18 -0.01 -0.83 0.00 0.00 0.00 175.10 174.00 1afj s GLY 37 N -3.93 1.30 0.00 4.51 0.00 0.12 -4.94 107.32 104.38 1afj s GLY 37 Ca 0.39 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1afj s GLY 37 CO 0.25 1.06 0.00 1.97 0.00 0.00 0.00 173.10 176.38 1afj n PHE 38 N 4.67 0.00 -0.02 1.90 1.16 -1.26 -1.24 117.46 122.68 1afj n PHE 38 Ca -0.08 0.00 -0.00 0.00 -1.87 0.00 0.00 57.45 55.49 1afj n PHE 38 Cb 0.44 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.30 1afj n PHE 38 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 1afj n GLU 39 N 0.00 -0.02 -0.32 3.97 1.02 -1.26 0.14 120.64 124.17 1afj n GLU 39 Ca 0.00 0.15 -0.05 0.00 -0.02 0.00 0.00 57.16 57.24 1afj n GLU 39 Cb 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 31.44 31.20 1afj n GLU 39 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1afj h LYS 40 N 0.00 -0.07 -0.09 3.49 1.63 -1.90 -3.41 116.57 116.21 1afj h LYS 40 Ca 0.01 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1afj h LYS 40 Cb 0.01 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1afj h LYS 40 CO -0.03 -0.05 0.00 -2.13 -3.45 0.00 0.00 179.45 173.79 1afj n ARG 41 N -5.42 0.00 -3.29 1.90 0.00 0.37 -4.96 116.66 105.25 1afj n ARG 41 Ca 0.06 0.02 0.03 0.00 -0.00 0.00 0.00 57.85 57.96 1afj n ARG 41 Cb 0.36 -0.05 -0.03 0.00 0.00 0.00 0.00 32.46 32.75 1afj n ARG 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1afj s GLU 42 N -1.36 0.32 -0.24 -0.14 -6.30 -1.07 -4.24 118.70 105.66 1afj s GLU 42 Ca 0.00 0.68 -0.06 0.00 -2.50 0.00 0.00 54.97 53.09 1afj s GLU 42 Cb 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 34.13 34.51 1afj s GLU 42 CO 0.00 -0.22 0.03 0.00 0.02 0.00 0.00 175.26 175.09 1afj s ALA 43 N 2.70 3.04 -0.25 6.30 0.00 -0.34 -0.70 121.76 132.51 1afj s ALA 43 Ca 0.02 -1.15 -0.06 0.00 0.00 0.00 0.00 51.96 50.77 1afj s ALA 43 Cb -0.09 -1.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.06 1afj s ALA 43 CO -0.16 -0.47 0.03 0.08 0.00 0.00 0.00 175.76 175.24 1afj s VAL 44 N 1.57 3.89 0.10 0.00 1.01 -0.48 0.13 120.40 126.63 1afj s VAL 44 Ca 0.06 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1afj s VAL 44 Cb -0.15 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1afj s VAL 44 CO 0.01 0.30 -0.09 -0.69 0.00 0.00 0.00 175.10 174.63 1afj s VAL 45 N 1.54 0.88 0.29 2.92 1.01 -0.39 0.69 120.40 127.32 1afj s VAL 45 Ca 0.05 -1.75 0.11 0.00 0.00 0.00 0.00 61.98 60.38 1afj s VAL 45 Cb -0.15 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1afj s VAL 45 CO 0.01 -0.67 -0.09 -0.89 0.00 0.00 0.00 175.10 173.46 1afj s THR 46 N -2.85 2.85 0.05 3.92 2.01 -0.65 -1.45 115.64 119.52 1afj s THR 46 Ca 0.08 -2.15 -0.13 0.00 0.31 0.00 0.00 61.69 59.80 1afj s THR 46 Cb -0.00 -2.59 0.04 0.00 0.01 0.00 0.00 72.50 69.96 1afj s THR 46 CO -0.01 -0.35 0.60 2.22 -0.69 0.00 0.00 174.62 176.39 1afj n PHE 47 N -0.78 -0.69 -3.69 4.92 1.16 0.06 -1.32 117.46 117.11 1afj n PHE 47 Ca -0.05 -0.55 -0.39 0.00 -1.87 0.00 0.00 57.45 54.59 1afj n PHE 47 Cb 0.60 0.26 -0.12 0.00 -1.61 0.00 0.00 39.48 38.61 1afj n PHE 47 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 1afj s ASP 48 N -2.38 5.42 0.00 5.98 -4.77 -1.19 -1.28 116.67 118.45 1afj s ASP 48 Ca 0.14 -0.88 0.05 0.00 -3.30 0.00 0.00 52.55 48.56 1afj s ASP 48 Cb -0.01 -1.94 0.23 0.00 -1.09 0.00 0.00 42.92 40.11 1afj s ASP 48 CO 0.02 -0.28 1.16 -0.67 0.70 0.00 0.00 175.17 176.09 1afj n ASP 49 N 4.91 0.00 0.29 2.11 2.03 -0.70 -1.60 116.55 123.59 1afj n ASP 49 Ca -0.13 0.48 0.16 0.00 0.52 0.00 0.00 54.79 55.82 1afj n ASP 49 Cb 0.47 -0.48 0.91 0.00 -0.72 0.00 0.00 41.12 41.30 1afj n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1afj h THR 50 N 0.00 0.40 0.00 5.18 1.03 -1.93 -3.34 112.91 114.26 1afj h THR 50 Ca 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 66.41 66.20 1afj h THR 50 Cb 0.09 1.14 0.00 0.00 -1.07 0.00 0.00 68.15 68.31 1afj h THR 50 CO 0.00 0.04 -0.47 0.29 -0.01 0.00 0.00 175.52 175.37 1afj n LYS 51 N -3.58 0.28 -1.25 0.00 5.02 -0.86 -5.10 118.16 112.67 1afj n LYS 51 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1afj n LYS 51 Cb 0.14 -0.73 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 1afj n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afj n ALA 52 N -1.85 0.00 -3.65 7.82 0.00 -0.63 -4.87 120.51 117.33 1afj n ALA 52 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1afj n ALA 52 Cb 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.65 1afj n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1afj s SER 53 N -0.92 -0.02 0.34 0.00 0.15 -1.26 -4.05 113.70 107.95 1afj s SER 53 Ca 0.00 0.01 0.15 0.00 0.70 0.00 0.00 55.95 56.80 1afj s SER 53 Cb 0.00 0.01 1.12 0.00 -1.71 0.00 0.00 66.02 65.44 1afj s SER 53 CO 0.00 -0.02 1.63 1.62 1.20 0.00 0.00 173.24 177.67 1afj h VAL 54 N 2.01 0.18 -0.47 4.45 3.04 -1.98 0.97 116.25 124.46 1afj h VAL 54 Ca -0.04 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.57 1afj h VAL 54 Cb 1.15 -0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 30.39 1afj h VAL 54 CO 0.20 0.03 0.25 -0.61 -1.01 0.00 0.00 177.57 176.43 1afj h GLN 55 N 0.18 0.66 0.00 4.17 4.15 -2.00 -1.91 115.11 120.37 1afj h GLN 55 Ca 0.75 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 60.06 1afj h GLN 55 Cb 1.78 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 29.34 1afj h GLN 55 CO -0.69 0.54 -0.12 0.87 -1.93 0.00 0.00 178.83 177.50 1afj h LYS 56 N 0.62 0.00 0.07 1.69 1.57 0.55 -1.20 116.57 119.86 1afj h LYS 56 Ca 0.16 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1afj h LYS 56 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1afj h LYS 56 CO -0.02 0.12 -0.03 -0.07 -0.57 0.00 0.00 179.45 178.87 1afj h LEU 57 N 0.00 -0.08 -2.20 2.94 3.38 -0.32 0.69 115.31 119.71 1afj h LEU 57 Ca -0.00 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1afj h LEU 57 Cb 0.46 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1afj h LEU 57 CO 0.02 0.46 0.00 0.74 0.09 0.00 0.00 178.44 179.74 1afj h THR 58 N -0.65 0.00 0.00 0.22 2.02 -1.34 0.19 112.91 113.35 1afj h THR 58 Ca -0.01 -0.24 -0.13 0.00 0.77 0.00 0.00 66.41 66.80 1afj h THR 58 Cb 0.54 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1afj h THR 58 CO 0.02 0.00 -0.75 0.11 0.37 0.00 0.00 175.52 175.26 1afj h LYS 59 N 0.00 0.00 -0.20 6.66 1.57 -0.89 -0.68 116.57 123.03 1afj h LYS 59 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1afj h LYS 59 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1afj h LYS 59 CO 0.00 0.48 -0.28 0.00 -0.57 0.00 0.00 179.45 179.07 1afj h ALA 60 N 1.45 0.30 -0.00 3.86 0.00 0.13 0.35 119.26 125.35 1afj h ALA 60 Ca -0.04 -0.40 -0.25 0.00 0.00 0.00 0.00 54.91 54.21 1afj h ALA 60 Cb 1.45 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.20 1afj h ALA 60 CO 0.06 0.31 -1.01 0.00 0.00 0.00 0.00 179.25 178.61 1afj h THR 61 N 0.21 1.31 0.00 0.00 1.03 -1.57 -0.26 112.91 113.64 1afj h THR 61 Ca 0.02 -2.30 -0.01 0.00 -0.01 0.00 0.00 66.41 64.12 1afj h THR 61 Cb 0.86 2.38 -0.00 0.00 -1.07 0.00 0.00 68.15 70.32 1afj h THR 61 CO 0.07 0.70 -0.03 0.00 -0.01 0.00 0.00 175.52 176.25 1afj h ALA 62 N 0.51 1.37 0.00 0.00 0.00 -1.03 0.19 119.26 120.29 1afj h ALA 62 Ca -0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1afj h ALA 62 Cb 1.66 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1afj h ALA 62 CO 0.19 0.04 -0.97 -0.44 0.00 0.00 0.00 179.25 178.08 1afj h ASP 63 N 0.00 0.00 1.26 0.00 3.32 0.19 -3.23 116.42 117.97 1afj h ASP 63 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1afj h ASP 63 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1afj h ASP 63 CO 0.00 0.19 0.00 0.00 -1.72 0.00 0.00 179.24 177.72 1afj h ALA 64 N 1.81 1.00 0.00 3.45 0.00 0.11 -3.45 119.26 122.18 1afj h ALA 64 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1afj h ALA 64 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1afj h ALA 64 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1afj n GLY 65 N 0.59 1.94 2.55 0.00 0.00 -0.79 -5.08 105.19 104.40 1afj n GLY 65 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1afj n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1afj s TYR 66 N -2.00 1.10 -0.76 1.61 2.02 -0.40 -4.98 117.35 113.94 1afj s TYR 66 Ca 0.00 -1.80 -0.24 0.00 -0.37 0.00 0.00 57.07 54.66 1afj s TYR 66 Cb 0.00 -1.23 -0.16 0.00 -0.40 0.00 0.00 41.96 40.17 1afj s TYR 66 CO 0.00 -0.82 2.40 -2.30 -1.57 0.00 0.00 175.55 173.26 1afj n PRO 67 N 4.03 0.57 -0.56 -1.71 -0.02 -1.26 -3.04 135.00 133.01 1afj n PRO 67 Ca 0.09 -0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.10 1afj n PRO 67 Cb 0.37 -3.13 0.00 0.00 -0.02 0.00 0.00 33.50 30.72 1afj n PRO 67 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1afj n SER 68 N 15.73 0.90 -1.18 2.55 3.41 -1.26 -4.26 113.62 129.51 1afj n SER 68 Ca 0.49 -0.39 -0.01 0.00 -0.26 0.00 0.00 58.87 58.70 1afj n SER 68 Cb 0.39 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1afj n SER 68 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1afj n SER 69 N -0.81 -0.13 -4.09 4.04 2.88 0.14 -4.93 113.62 110.72 1afj n SER 69 Ca 0.00 -1.17 -0.07 0.00 -1.33 0.00 0.00 58.87 56.30 1afj n SER 69 Cb 0.00 0.24 -0.10 0.00 -0.75 0.00 0.00 64.21 63.60 1afj n SER 69 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1afj s VAL 70 N -2.52 0.23 -0.32 2.46 0.11 -1.26 -1.67 120.40 117.43 1afj s VAL 70 Ca 0.02 -1.81 0.04 0.00 -2.93 0.00 0.00 61.98 57.30 1afj s VAL 70 Cb -0.00 -1.53 0.16 0.00 -1.53 0.00 0.00 36.38 33.47 1afj s VAL 70 CO 0.02 -0.99 1.12 2.29 -3.33 0.00 0.00 175.10 174.20 1afj n LYS 71 N 0.10 0.48 0.00 1.54 2.85 -0.81 -4.90 118.16 117.42 1afj n LYS 71 Ca -0.14 -0.97 0.00 0.00 -1.05 0.00 0.00 58.31 56.16 1afj n LYS 71 Cb 0.61 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.99 1afj n LYS 71 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29