#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cur h THR 2 N 0.00 0.00 -1.02 2.61 1.35 -2.04 -3.46 112.91 110.35 1cur h THR 2 Ca 0.00 -0.09 -0.52 0.00 -0.55 0.00 0.00 66.41 65.25 1cur h THR 2 Cb 0.00 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.40 1cur h THR 2 CO 0.00 0.00 -0.29 -0.76 -0.25 0.00 0.00 175.52 174.22 1cur s LEU 3 N -5.57 3.10 -0.16 3.87 1.02 -1.26 -5.06 118.68 114.62 1cur s LEU 3 Ca -0.04 -0.93 -0.29 0.00 0.02 0.00 0.00 54.13 52.89 1cur s LEU 3 Cb 0.00 -1.69 -0.02 0.00 0.02 0.00 0.00 46.19 44.51 1cur s LEU 3 CO 0.12 -0.96 1.39 -0.62 0.02 0.00 0.00 176.35 176.30 1cur s ASP 4 N -4.31 6.79 -0.32 2.29 2.15 0.60 -4.73 116.67 119.15 1cur s ASP 4 Ca 0.46 1.75 0.08 0.00 0.43 0.00 0.00 52.55 55.27 1cur s ASP 4 Cb -0.04 -2.54 0.50 0.00 -0.30 0.00 0.00 42.92 40.55 1cur s ASP 4 CO 0.28 -0.89 1.48 0.35 -0.17 0.00 0.00 175.17 176.22 1cur n THR 5 N 5.61 2.62 -1.41 1.71 -2.24 -1.26 -3.48 114.28 115.83 1cur n THR 5 Ca 0.15 -2.91 -0.39 0.00 -2.27 0.00 0.00 64.05 58.63 1cur n THR 5 Cb 0.45 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1cur n THR 5 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1cur n THR 6 N -1.08 3.78 -2.60 4.28 -1.04 -1.26 -4.92 114.28 111.44 1cur n THR 6 Ca 0.36 -2.61 -0.42 0.00 -2.04 0.00 0.00 64.05 59.34 1cur n THR 6 Cb 1.02 -2.57 -0.03 0.00 -1.82 0.00 0.00 70.33 66.93 1cur n THR 6 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1cur s TRP 7 N 2.74 3.40 0.34 -1.42 0.23 -1.26 -4.16 118.94 118.81 1cur s TRP 7 Ca 0.59 1.46 0.03 0.00 -2.03 0.00 0.00 56.10 56.15 1cur s TRP 7 Cb 0.16 -3.28 -0.01 0.00 0.03 0.00 0.00 33.47 30.37 1cur s TRP 7 CO -0.06 -0.63 0.39 1.63 0.96 0.00 0.00 176.95 179.24 1cur n LYS 8 N 5.02 0.56 -3.95 4.98 5.02 0.01 -5.02 118.16 124.78 1cur n LYS 8 Ca 0.09 -3.09 -0.09 0.00 -2.02 0.00 0.00 58.31 53.20 1cur n LYS 8 Cb 0.48 2.74 -0.10 0.00 -0.02 0.00 0.00 35.03 38.13 1cur n LYS 8 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1cur s GLU 9 N -3.09 0.53 0.00 1.97 8.01 -1.26 -0.47 118.70 124.40 1cur s GLU 9 Ca 0.35 -0.76 0.00 0.00 0.01 0.00 0.00 54.97 54.57 1cur s GLU 9 Cb 0.01 0.20 0.00 0.00 -4.31 0.00 0.00 34.13 30.03 1cur s GLU 9 CO 0.25 -0.12 0.00 0.00 0.01 0.00 0.00 175.26 175.40 1cur n ALA 10 N 0.89 0.00 -2.23 5.21 0.00 0.61 -4.88 120.51 120.10 1cur n ALA 10 Ca -0.20 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.11 1cur n ALA 10 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 1cur n ALA 10 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1cur s THR 11 N 1.54 0.12 0.15 0.00 -4.23 -1.26 -0.52 115.64 111.45 1cur s THR 11 Ca 0.00 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.23 1cur s THR 11 Cb 0.00 -2.53 -0.05 0.00 1.34 0.00 0.00 72.50 71.27 1cur s THR 11 CO 0.00 0.00 1.45 -0.11 -0.54 0.00 0.00 174.62 175.42 1cur n LEU 12 N -0.34 -0.98 0.16 4.79 0.00 -0.48 -0.23 117.00 119.91 1cur n LEU 12 Ca 0.02 1.68 0.10 0.00 0.00 0.00 0.00 56.01 57.80 1cur n LEU 12 Cb 0.66 -0.23 0.61 0.00 0.00 0.00 0.00 43.42 44.47 1cur n LEU 12 CO 0.34 -1.37 1.11 1.55 0.00 0.00 0.00 177.39 179.02 1cur h PRO 13 N 0.00 0.09 0.00 1.96 0.13 -1.98 -0.64 132.00 131.56 1cur h PRO 13 Ca 0.16 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.25 1cur h PRO 13 Cb 0.40 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 1cur h PRO 13 CO -0.89 0.06 -0.19 1.96 -0.23 0.00 0.00 178.00 178.71 1cur h GLN 14 N 0.09 0.00 0.40 0.86 1.08 -1.02 -0.06 115.11 116.47 1cur h GLN 14 Ca 0.08 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 1cur h GLN 14 Cb 0.21 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1cur h GLN 14 CO -0.01 0.19 -0.23 0.28 -0.95 0.00 0.00 178.83 178.11 1cur h VAL 15 N 0.00 0.52 -0.15 -0.54 2.07 -0.90 0.10 116.25 117.35 1cur h VAL 15 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1cur h VAL 15 Cb 0.50 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1cur h VAL 15 CO 0.02 0.00 -0.00 0.11 0.02 0.00 0.00 177.57 177.72 1cur h LYS 16 N -0.60 0.05 -0.08 1.57 1.57 -1.48 -0.03 116.57 117.57 1cur h LYS 16 Ca -0.05 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1cur h LYS 16 Cb 0.49 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.73 1cur h LYS 16 CO 0.06 0.03 -0.45 0.00 -0.57 0.00 0.00 179.45 178.52 1cur h ALA 17 N 1.13 -0.70 -0.14 3.86 0.00 -0.84 0.77 119.26 123.33 1cur h ALA 17 Ca 0.07 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1cur h ALA 17 Cb 0.08 0.83 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1cur h ALA 17 CO -0.12 -0.98 -0.05 0.52 0.00 0.00 0.00 179.25 178.62 1cur h MET 18 N -0.55 -0.02 -0.65 0.00 2.86 -0.59 -1.76 114.93 114.21 1cur h MET 18 Ca 0.05 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.80 1cur h MET 18 Cb 0.66 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.25 1cur h MET 18 CO -0.38 -0.02 0.25 -0.07 1.06 0.00 0.00 176.91 177.76 1cur h LEU 19 N -0.02 0.25 -1.84 1.22 3.38 -0.51 0.13 115.31 117.93 1cur h LEU 19 Ca 0.07 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1cur h LEU 19 Cb 0.13 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1cur h LEU 19 CO -0.16 0.14 0.02 -0.33 0.09 0.00 0.00 178.44 178.19 1cur h GLU 20 N 0.43 0.12 -0.00 1.13 4.39 -0.24 -1.39 114.58 119.01 1cur h GLU 20 Ca 0.33 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1cur h GLU 20 Cb 0.43 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1cur h GLU 20 CO -0.33 0.12 0.00 1.63 -1.16 0.00 0.00 179.01 179.27 1cur n LYS 21 N -4.48 1.03 -1.87 2.33 4.76 0.44 -4.88 118.16 115.49 1cur n LYS 21 Ca -0.02 -0.04 -0.38 0.00 -2.87 0.00 0.00 58.31 55.00 1cur n LYS 21 Cb 0.12 -1.42 0.03 0.00 -1.84 0.00 0.00 35.03 31.92 1cur n LYS 21 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1cur s ASP 22 N -1.84 5.39 -0.37 4.39 1.47 -0.53 -4.89 116.67 120.29 1cur s ASP 22 Ca 0.40 2.66 0.06 0.00 1.18 0.00 0.00 52.55 56.86 1cur s ASP 22 Cb 0.19 -2.63 0.53 0.00 -0.34 0.00 0.00 42.92 40.67 1cur s ASP 22 CO 0.31 -1.48 1.59 0.35 0.68 0.00 0.00 175.17 176.63 1cur n THR 23 N -0.99 2.82 -3.57 2.11 -2.24 -1.20 -4.97 114.28 106.24 1cur n THR 23 Ca 0.10 -2.80 -0.40 0.00 -2.27 0.00 0.00 64.05 58.68 1cur n THR 23 Cb 0.46 -0.55 -0.11 0.00 -2.10 0.00 0.00 70.33 68.03 1cur n THR 23 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1cur s GLY 24 N -2.34 1.94 0.35 3.38 0.00 -1.26 -4.36 107.32 105.03 1cur s GLY 24 Ca 0.50 -1.49 -0.25 0.00 0.00 0.00 0.00 44.72 43.49 1cur s GLY 24 CO 0.02 0.78 0.96 0.54 0.00 0.00 0.00 173.10 175.40 1cur s LYS 25 N 1.66 4.46 0.47 2.90 1.02 0.58 -4.78 119.74 126.06 1cur s LYS 25 Ca 0.05 1.31 -0.21 0.00 0.02 0.00 0.00 55.97 57.13 1cur s LYS 25 Cb -0.18 -2.64 -0.08 0.00 -0.52 0.00 0.00 37.83 34.41 1cur s LYS 25 CO 0.09 0.17 1.07 0.08 -0.92 0.00 0.00 175.35 175.83 1cur s VAL 26 N -1.74 3.59 -0.43 3.17 1.01 -1.26 -0.12 120.40 124.62 1cur s VAL 26 Ca 0.53 1.06 0.08 0.00 0.00 0.00 0.00 61.98 63.65 1cur s VAL 26 Cb -0.17 -3.47 0.28 0.00 0.00 0.00 0.00 36.38 33.02 1cur s VAL 26 CO 0.22 -0.15 0.81 -1.20 0.00 0.00 0.00 175.10 174.79 1cur n SER 27 N -0.77 -1.22 0.00 3.32 7.64 0.90 -4.76 113.62 118.72 1cur n SER 27 Ca 0.09 -3.18 0.00 0.00 1.01 0.00 0.00 58.87 56.78 1cur n SER 27 Cb 0.51 0.72 0.00 0.00 -1.01 0.00 0.00 64.21 64.43 1cur n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cur n GLY 28 N 1.01 2.54 2.02 0.23 0.00 -1.26 -2.59 105.19 107.14 1cur n GLY 28 Ca 0.15 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1cur n GLY 28 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cur n ASP 29 N 2.19 5.40 -3.49 1.61 2.03 -1.26 -4.71 116.55 118.32 1cur n ASP 29 Ca 0.00 -2.48 -0.15 0.00 0.52 0.00 0.00 54.79 52.69 1cur n ASP 29 Cb 0.00 -1.42 -0.04 0.00 -0.72 0.00 0.00 41.12 38.94 1cur n ASP 29 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1cur s THR 30 N 1.09 0.00 0.11 5.18 2.01 -1.07 -4.45 115.64 118.51 1cur s THR 30 Ca 0.67 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.77 1cur s THR 30 Cb 0.31 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1cur s THR 30 CO -0.00 0.00 -0.25 -0.69 -0.69 0.00 0.00 174.62 172.98 1cur s VAL 31 N -2.09 2.34 -0.06 3.82 1.01 0.47 -0.07 120.40 125.83 1cur s VAL 31 Ca -0.05 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 60.27 1cur s VAL 31 Cb -0.00 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1cur s VAL 31 CO 0.01 0.14 -0.03 -0.89 0.00 0.00 0.00 175.10 174.32 1cur s THR 32 N -1.03 0.53 0.40 3.92 2.01 0.83 -0.61 115.64 121.67 1cur s THR 32 Ca 0.14 -0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.15 1cur s THR 32 Cb -0.10 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.81 1cur s THR 32 CO 0.06 0.25 0.55 -0.31 -0.69 0.00 0.00 174.62 174.48 1cur s TYR 33 N 1.36 2.99 0.16 4.92 1.51 0.05 -0.30 117.35 128.03 1cur s TYR 33 Ca -0.04 -0.22 -0.19 0.00 -1.01 0.00 0.00 57.07 55.61 1cur s TYR 33 Cb -0.13 -2.24 0.05 0.00 -0.11 0.00 0.00 41.96 39.53 1cur s TYR 33 CO -0.03 -0.27 0.52 -1.12 -1.11 0.00 0.00 175.55 173.54 1cur s SER 34 N -4.27 -0.36 0.13 2.29 0.01 -1.26 -4.47 113.70 105.77 1cur s SER 34 Ca 0.50 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1cur s SER 34 Cb -0.10 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.69 1cur s SER 34 CO 0.33 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.63 1cur n GLY 35 N -0.32 -1.60 0.10 3.44 0.00 -1.26 -4.52 105.19 101.02 1cur n GLY 35 Ca -0.14 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 1cur n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cur h LYS 36 N -0.47 0.14 -4.06 1.61 1.79 -1.95 -3.40 116.57 110.23 1cur h LYS 36 Ca 0.00 -0.20 -0.70 0.00 -2.18 0.00 0.00 60.65 57.57 1cur h LYS 36 Cb 0.46 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.15 1cur h LYS 36 CO 0.01 1.02 3.05 2.41 -1.08 0.00 0.00 179.45 184.85 1cur n THR 37 N -3.54 3.29 -2.79 -0.16 -1.04 -1.26 -0.12 114.28 108.66 1cur n THR 37 Ca -0.03 -2.87 -0.43 0.00 -2.04 0.00 0.00 64.05 58.67 1cur n THR 37 Cb 0.89 -2.58 -0.03 0.00 -1.82 0.00 0.00 70.33 66.79 1cur n THR 37 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1cur s VAL 38 N 3.39 4.38 -0.74 12.58 1.01 -1.09 -4.77 120.40 135.15 1cur s VAL 38 Ca 0.48 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.24 1cur s VAL 38 Cb 0.14 -4.85 0.14 0.00 0.00 0.00 0.00 36.38 31.81 1cur s VAL 38 CO -0.07 -1.64 0.84 -2.28 0.00 0.00 0.00 175.10 171.95 1cur s HIS 39 N 3.72 3.21 -0.78 5.22 2.46 -1.26 -0.41 115.29 127.45 1cur s HIS 39 Ca 0.35 -1.32 -0.19 0.00 0.47 0.00 0.00 55.06 54.37 1cur s HIS 39 Cb -0.06 -4.05 0.13 0.00 -0.13 0.00 0.00 32.58 28.48 1cur s HIS 39 CO -0.05 -1.28 0.93 0.08 -2.47 0.00 0.00 174.74 171.95 1cur s VAL 40 N 2.10 4.82 -0.57 0.89 1.01 -0.01 -3.26 120.40 125.38 1cur s VAL 40 Ca 0.19 -1.36 -0.22 0.00 0.00 0.00 0.00 61.98 60.59 1cur s VAL 40 Cb -0.15 -4.64 0.06 0.00 0.00 0.00 0.00 36.38 31.64 1cur s VAL 40 CO -0.02 -1.33 0.84 -0.69 0.00 0.00 0.00 175.10 173.90 1cur s VAL 41 N 2.53 4.55 -0.27 2.92 1.01 -1.26 -0.35 120.40 129.53 1cur s VAL 41 Ca 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 1cur s VAL 41 Cb -0.13 -4.51 0.04 0.00 0.00 0.00 0.00 36.38 31.79 1cur s VAL 41 CO -0.02 -1.12 -0.05 0.00 0.00 0.00 0.00 175.10 173.91 1cur s ALA 42 N 3.49 2.71 0.23 5.51 0.00 0.14 -3.86 121.76 129.98 1cur s ALA 42 Ca 0.22 -1.63 -0.13 0.00 0.00 0.00 0.00 51.96 50.42 1cur s ALA 42 Cb -0.17 -1.76 -0.08 0.00 0.00 0.00 0.00 23.12 21.12 1cur s ALA 42 CO 0.13 -1.06 0.61 0.00 0.00 0.00 0.00 175.76 175.44 1cur s ALA 43 N 1.25 3.50 -0.29 0.00 0.00 0.73 -0.65 121.76 126.30 1cur s ALA 43 Ca -0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 51.96 51.79 1cur s ALA 43 Cb -0.18 -2.56 0.06 0.00 0.00 0.00 0.00 23.12 20.43 1cur s ALA 43 CO -0.03 0.44 -0.02 0.00 0.00 0.00 0.00 175.76 176.14 1cur s ALA 44 N -1.75 2.75 -0.38 0.00 0.00 0.06 -0.38 121.76 122.06 1cur s ALA 44 Ca 0.46 -1.83 -0.33 0.00 0.00 0.00 0.00 51.96 50.27 1cur s ALA 44 Cb -0.12 -1.85 0.05 0.00 0.00 0.00 0.00 23.12 21.20 1cur s ALA 44 CO 0.20 -1.29 0.56 0.28 0.00 0.00 0.00 175.76 175.51 1cur n VAL 45 N 4.55 -3.74 -2.64 0.00 0.31 -1.21 -3.83 118.33 111.77 1cur n VAL 45 Ca -0.12 0.16 -0.35 0.00 -0.01 0.00 0.00 64.34 64.02 1cur n VAL 45 Cb 0.43 -3.52 -0.05 0.00 -0.91 0.00 0.00 33.84 29.79 1cur n VAL 45 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1cur s LEU 46 N -2.23 4.06 -0.43 7.52 1.43 -1.26 -4.04 118.68 123.73 1cur s LEU 46 Ca 0.33 1.91 -0.41 0.00 -1.03 0.00 0.00 54.13 54.92 1cur s LEU 46 Cb -0.03 -4.33 -0.16 0.00 0.03 0.00 0.00 46.19 41.70 1cur s LEU 46 CO 0.74 -0.47 2.08 -2.65 0.23 0.00 0.00 176.35 176.28 1cur n PRO 47 N -0.32 0.48 0.00 1.29 -0.02 -1.26 -0.92 135.00 134.25 1cur n PRO 47 Ca 0.06 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1cur n PRO 47 Cb 0.51 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1cur n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cur n GLY 48 N 6.62 4.14 3.56 -1.23 0.00 -1.26 -5.09 105.19 111.94 1cur n GLY 48 Ca 0.46 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1cur n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cur s PHE 49 N 0.00 3.07 -1.43 1.61 0.08 -0.10 -4.97 117.98 116.24 1cur s PHE 49 Ca 0.00 0.35 -0.13 0.00 0.12 0.00 0.00 56.93 57.27 1cur s PHE 49 Cb 0.00 -3.47 -0.02 0.00 -0.57 0.00 0.00 43.02 38.96 1cur s PHE 49 CO 0.00 -0.82 2.44 -0.35 -0.10 0.00 0.00 175.22 176.38 1cur n PRO 50 N 6.48 2.98 -1.12 0.24 -0.04 -1.26 -4.65 135.00 137.63 1cur n PRO 50 Ca 0.02 -2.35 0.14 0.00 -0.04 0.00 0.00 63.50 61.27 1cur n PRO 50 Cb 0.48 -3.06 -0.05 0.00 -0.04 0.00 0.00 33.50 30.83 1cur n PRO 50 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1cur n PHE 51 N 5.31 -2.90 0.01 0.54 3.01 -1.26 -5.04 117.46 117.13 1cur n PHE 51 Ca 0.60 1.52 0.02 0.00 1.01 0.00 0.00 57.45 60.59 1cur n PHE 51 Cb 0.33 -2.63 -0.03 0.00 -0.01 0.00 0.00 39.48 37.13 1cur n PHE 51 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1cur n PRO 52 N -3.88 0.44 -1.96 -1.08 -0.04 -1.26 -5.10 135.00 122.12 1cur n PRO 52 Ca -0.03 -0.03 -0.35 0.00 -0.04 0.00 0.00 63.50 63.05 1cur n PRO 52 Cb 0.52 -1.06 0.04 0.00 -0.04 0.00 0.00 33.50 32.96 1cur n PRO 52 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1cur s SER 53 N -2.35 5.17 0.00 3.54 1.04 -1.21 -4.45 113.70 115.44 1cur s SER 53 Ca -0.01 2.28 -0.30 0.00 0.48 0.00 0.00 55.95 58.40 1cur s SER 53 Cb 0.02 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 1cur s SER 53 CO 0.15 -1.60 1.09 -0.36 0.98 0.00 0.00 173.24 173.50 1cur s PHE 54 N -1.78 3.51 -0.27 5.02 0.08 -1.26 -3.29 117.98 119.98 1cur s PHE 54 Ca 0.75 1.49 -0.04 0.00 0.12 0.00 0.00 56.93 59.24 1cur s PHE 54 Cb -0.27 -3.27 0.02 0.00 -0.57 0.00 0.00 43.02 38.92 1cur s PHE 54 CO 0.34 -0.65 0.01 -1.21 -0.10 0.00 0.00 175.22 173.61 1cur s GLU 55 N 1.28 3.00 -0.60 0.44 2.02 0.49 -0.40 118.70 124.93 1cur s GLU 55 Ca 0.54 -0.89 0.04 0.00 0.02 0.00 0.00 54.97 54.68 1cur s GLU 55 Cb -0.24 -3.18 0.15 0.00 0.10 0.00 0.00 34.13 30.96 1cur s GLU 55 CO 0.27 -0.41 0.36 0.08 0.02 0.00 0.00 175.26 175.58 1cur s VAL 56 N 1.42 2.67 0.00 2.63 1.01 0.82 -0.19 120.40 128.75 1cur s VAL 56 Ca 0.02 -3.72 0.00 0.00 0.00 0.00 0.00 61.98 58.27 1cur s VAL 56 Cb -0.17 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1cur s VAL 56 CO -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 175.10 174.19 1cur n HIS 57 N 2.61 0.00 0.23 5.22 1.44 -1.25 -0.87 115.22 122.60 1cur n HIS 57 Ca 0.12 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.94 1cur n HIS 57 Cb 0.34 0.00 0.52 0.00 0.12 0.00 0.00 29.99 30.97 1cur n HIS 57 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 1cur h ASP 58 N 0.00 0.00 -3.82 4.39 1.82 -1.94 -3.46 116.42 113.40 1cur h ASP 58 Ca 0.00 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.33 1cur h ASP 58 Cb 0.00 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 39.94 1cur h ASP 58 CO 0.00 0.19 -0.28 0.29 -1.61 0.00 0.00 179.24 177.83 1cur n LYS 59 N -3.39 0.53 -4.39 0.28 4.76 -0.05 -5.15 118.16 110.74 1cur n LYS 59 Ca -0.00 -2.03 -0.23 0.00 -2.87 0.00 0.00 58.31 53.19 1cur n LYS 59 Cb 0.39 1.32 -0.16 0.00 -1.84 0.00 0.00 35.03 34.73 1cur n LYS 59 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1cur s LYS 60 N -2.88 1.34 -1.54 1.97 1.02 -1.26 -0.13 119.74 118.26 1cur s LYS 60 Ca 0.17 -0.28 -0.11 0.00 0.02 0.00 0.00 55.97 55.76 1cur s LYS 60 Cb 0.01 -1.18 0.08 0.00 -0.52 0.00 0.00 37.83 36.23 1cur s LYS 60 CO 0.12 -0.02 0.80 0.09 -0.92 0.00 0.00 175.35 175.41 1cur n ASN 61 N 3.94 -3.18 -4.77 2.83 5.03 0.47 -4.90 115.26 114.68 1cur n ASN 61 Ca -0.23 -0.89 -0.30 0.00 0.87 0.00 0.00 54.58 54.03 1cur n ASN 61 Cb 0.51 -3.43 0.11 0.00 -1.02 0.00 0.00 39.78 35.95 1cur n ASN 61 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1cur s PRO 62 N -6.63 1.74 -0.18 3.52 0.04 -1.26 -4.56 135.00 127.67 1cur s PRO 62 Ca 0.50 0.74 -0.25 0.00 0.04 0.00 0.00 61.00 62.03 1cur s PRO 62 Cb -0.26 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1cur s PRO 62 CO 0.87 -1.89 0.81 0.99 0.04 0.00 0.00 177.00 177.82 1cur s THR 63 N -3.05 4.89 -0.34 1.26 2.01 -1.26 -3.49 115.64 115.66 1cur s THR 63 Ca 0.62 1.57 -0.07 0.00 0.31 0.00 0.00 61.69 64.13 1cur s THR 63 Cb -0.16 -4.11 0.04 0.00 0.01 0.00 0.00 72.50 68.27 1cur s THR 63 CO 0.55 0.02 0.11 -0.76 -0.69 0.00 0.00 174.62 173.85 1cur s LEU 64 N 2.23 4.31 -0.12 4.42 1.02 0.29 -0.39 118.68 130.43 1cur s LEU 64 Ca 0.37 -1.12 -0.28 0.00 0.02 0.00 0.00 54.13 53.12 1cur s LEU 64 Cb -0.16 -1.87 -0.01 0.00 0.02 0.00 0.00 46.19 44.16 1cur s LEU 64 CO 0.11 -0.32 0.94 -1.61 0.02 0.00 0.00 176.35 175.49 1cur s GLU 65 N 1.41 4.39 -0.01 1.70 2.02 0.22 -0.18 118.70 128.24 1cur s GLU 65 Ca -0.01 1.26 0.05 0.00 0.02 0.00 0.00 54.97 56.29 1cur s GLU 65 Cb -0.19 -3.55 -0.01 0.00 0.10 0.00 0.00 34.13 30.48 1cur s GLU 65 CO 0.03 -0.30 -0.17 0.42 0.02 0.00 0.00 175.26 175.26 1cur s ILE 66 N 2.00 1.31 -0.26 -1.63 1.01 0.30 -0.77 121.20 123.15 1cur s ILE 66 Ca 0.45 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 60.08 1cur s ILE 66 Cb -0.18 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.21 1cur s ILE 66 CO 0.16 0.35 1.10 -2.16 0.00 0.00 0.00 174.94 174.40 1cur s PRO 67 N -0.44 4.15 0.23 2.79 0.04 -1.26 -0.68 135.00 139.84 1cur s PRO 67 Ca 0.06 1.28 -0.29 0.00 0.04 0.00 0.00 61.00 62.09 1cur s PRO 67 Cb -0.06 -3.71 -0.15 0.00 0.04 0.00 0.00 34.50 30.61 1cur s PRO 67 CO -0.00 -0.79 0.86 0.00 0.04 0.00 0.00 177.00 177.11 1cur n ALA 68 N 6.68 -1.35 0.00 8.56 0.00 0.40 -2.16 120.51 132.64 1cur n ALA 68 Ca 0.12 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1cur n ALA 68 Cb 0.46 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1cur n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cur n GLY 69 N 1.61 3.00 3.64 0.00 0.00 0.15 -4.97 105.19 108.62 1cur n GLY 69 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1cur n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cur n ALA 70 N -0.12 -0.95 -2.74 4.61 0.00 -0.92 -4.66 120.51 115.73 1cur n ALA 70 Ca 0.00 -0.54 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 1cur n ALA 70 Cb 0.00 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.27 1cur n ALA 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cur s THR 71 N -2.55 4.31 -0.79 0.00 2.01 0.83 -4.02 115.64 115.44 1cur s THR 71 Ca 0.66 -1.14 -0.26 0.00 0.31 0.00 0.00 61.69 61.26 1cur s THR 71 Cb -0.24 -4.92 0.02 0.00 0.01 0.00 0.00 72.50 67.37 1cur s THR 71 CO 0.58 -1.73 1.49 -0.69 -0.69 0.00 0.00 174.62 173.59 1cur s VAL 72 N 3.87 3.66 -0.65 3.82 1.01 0.11 -2.68 120.40 129.55 1cur s VAL 72 Ca 0.39 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 62.24 1cur s VAL 72 Cb -0.02 -4.67 0.11 0.00 0.00 0.00 0.00 36.38 31.80 1cur s VAL 72 CO -0.09 -1.60 0.78 -1.81 0.00 0.00 0.00 175.10 172.37 1cur s ASP 73 N 5.26 6.26 -0.61 3.32 1.01 0.45 -0.33 116.67 132.04 1cur s ASP 73 Ca 0.47 -1.52 -0.26 0.00 0.71 0.00 0.00 52.55 51.95 1cur s ASP 73 Cb -0.07 -2.32 0.04 0.00 1.01 0.00 0.00 42.92 41.57 1cur s ASP 73 CO 0.10 -1.12 1.12 -0.69 0.21 0.00 0.00 175.17 174.79 1cur s VAL 74 N 2.70 4.08 -0.58 -1.27 1.01 0.73 -0.83 120.40 126.25 1cur s VAL 74 Ca 0.15 0.55 -0.20 0.00 0.00 0.00 0.00 61.98 62.48 1cur s VAL 74 Cb -0.21 -4.71 0.08 0.00 0.00 0.00 0.00 36.38 31.54 1cur s VAL 74 CO 0.04 -1.39 0.76 -0.89 0.00 0.00 0.00 175.10 173.63 1cur s THR 75 N 4.76 4.69 0.55 3.92 2.01 0.53 -1.12 115.64 130.98 1cur s THR 75 Ca 0.36 -0.60 -0.16 0.00 0.31 0.00 0.00 61.69 61.61 1cur s THR 75 Cb -0.10 -4.48 -0.06 0.00 0.01 0.00 0.00 72.50 67.87 1cur s THR 75 CO 0.21 -1.11 1.02 -0.36 -0.69 0.00 0.00 174.62 173.69 1cur s PHE 76 N 3.08 3.27 -0.50 4.92 0.08 0.19 -0.69 117.98 128.34 1cur s PHE 76 Ca 0.16 1.47 0.05 0.00 0.12 0.00 0.00 56.93 58.74 1cur s PHE 76 Cb -0.20 -2.87 0.19 0.00 -0.57 0.00 0.00 43.02 39.56 1cur s PHE 76 CO 0.10 -0.69 0.43 -0.89 -0.10 0.00 0.00 175.22 174.07 1cur n ILE 77 N -1.84 -0.15 -3.30 0.64 -0.00 0.18 -3.13 119.36 111.75 1cur n ILE 77 Ca 0.07 -4.00 -0.44 0.00 -0.00 0.00 0.00 62.75 58.38 1cur n ILE 77 Cb 0.54 -1.86 -0.07 0.00 -0.00 0.00 0.00 39.64 38.24 1cur n ILE 77 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 1cur s ASN 78 N -0.68 6.18 -0.31 4.38 2.47 -0.09 -0.76 114.94 126.12 1cur s ASN 78 Ca 0.32 -1.18 0.18 0.00 0.42 0.00 0.00 52.86 52.59 1cur s ASN 78 Cb 0.04 -2.22 0.46 0.00 -1.45 0.00 0.00 41.25 38.08 1cur s ASN 78 CO -0.17 -0.74 1.17 0.41 -3.72 0.00 0.00 177.10 174.05 1cur n THR 79 N 5.36 0.77 -1.64 -5.21 -1.04 -1.26 -3.72 114.28 107.55 1cur n THR 79 Ca -0.10 -2.43 -0.40 0.00 -2.04 0.00 0.00 64.05 59.07 1cur n THR 79 Cb 0.44 1.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.94 1cur n THR 79 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1cur n ASN 80 N -0.57 7.05 0.00 8.00 4.05 -1.25 -4.55 115.26 127.98 1cur n ASN 80 Ca 0.02 -2.79 0.00 0.00 0.45 0.00 0.00 54.58 52.26 1cur n ASN 80 Cb 0.83 -1.54 0.00 0.00 1.23 0.00 0.00 39.78 40.29 1cur n ASN 80 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1cur n LYS 81 N 3.92 0.00 0.00 1.20 5.02 -1.26 -0.55 118.16 126.50 1cur n LYS 81 Ca 0.65 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1cur n LYS 81 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.30 1cur n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cur n GLY 82 N 0.00 4.01 3.49 0.72 0.00 -1.26 -5.07 105.19 107.08 1cur n GLY 82 Ca 0.00 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1cur n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cur s PHE 83 N 0.00 2.55 -0.91 1.61 0.08 0.29 -4.93 117.98 116.67 1cur s PHE 83 Ca 0.00 -0.37 -0.21 0.00 0.12 0.00 0.00 56.93 56.48 1cur s PHE 83 Cb 0.00 -4.40 -0.12 0.00 -0.57 0.00 0.00 43.02 37.93 1cur s PHE 83 CO 0.00 -1.78 1.98 0.41 -0.10 0.00 0.00 175.22 175.72 1cur n GLY 84 N 5.34 2.82 0.35 4.36 0.00 -1.26 -4.39 105.19 112.41 1cur n GLY 84 Ca -0.01 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 44.77 1cur n GLY 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1cur h HIS 85 N 7.64 -0.41 -0.35 1.61 -0.00 -1.91 -3.21 115.15 118.52 1cur h HIS 85 Ca 0.44 0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.89 1cur h HIS 85 Cb 0.68 0.33 0.00 0.00 -0.00 0.00 0.00 27.41 28.42 1cur h HIS 85 CO 1.28 -0.42 -0.09 -1.13 -0.00 0.00 0.00 177.93 177.57 1cur n SER 86 N -5.59 -0.94 -3.64 2.45 3.41 -1.26 -3.68 113.62 104.38 1cur n SER 86 Ca 0.17 0.16 -0.27 0.00 -0.26 0.00 0.00 58.87 58.68 1cur n SER 86 Cb 0.55 0.44 -0.17 0.00 -0.26 0.00 0.00 64.21 64.77 1cur n SER 86 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1cur s PHE 87 N -3.79 0.47 -0.08 7.33 2.19 -1.23 -4.30 117.98 118.57 1cur s PHE 87 Ca 0.00 -0.57 0.03 0.00 0.33 0.00 0.00 56.93 56.72 1cur s PHE 87 Cb 0.00 -0.84 -0.02 0.00 -1.31 0.00 0.00 43.02 40.85 1cur s PHE 87 CO 0.00 -0.59 -0.16 -0.51 1.83 0.00 0.00 175.22 175.78 1cur s ASP 88 N 2.05 3.80 -0.14 6.13 -0.00 0.15 -0.32 116.67 128.33 1cur s ASP 88 Ca 0.02 -0.31 -0.03 0.00 -0.00 0.00 0.00 52.55 52.24 1cur s ASP 88 Cb -0.16 -1.07 -0.02 0.00 -0.00 0.00 0.00 42.92 41.66 1cur s ASP 88 CO -0.13 0.27 -0.06 -0.63 -0.00 0.00 0.00 175.17 174.62 1cur s ILE 89 N -0.27 3.69 0.00 0.77 1.01 0.59 -0.73 121.20 126.26 1cur s ILE 89 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.23 1cur s ILE 89 Cb -0.13 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.74 1cur s ILE 89 CO 0.03 0.51 0.00 1.07 0.00 0.00 0.00 174.94 176.54 1cur n THR 90 N 3.45 0.00 -2.46 2.92 5.66 -0.14 -1.04 114.28 122.67 1cur n THR 90 Ca -0.18 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.68 1cur n THR 90 Cb 0.53 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.33 1cur n THR 90 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1cur n LYS 91 N 0.00 2.60 -3.11 1.09 5.02 -1.26 -0.09 118.16 122.40 1cur n LYS 91 Ca 0.00 -3.86 -0.43 0.00 -2.02 0.00 0.00 58.31 52.00 1cur n LYS 91 Cb 0.00 -1.90 -0.07 0.00 -0.02 0.00 0.00 35.03 33.04 1cur n LYS 91 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1cur s LYS 92 N -3.60 3.35 0.77 1.97 -0.14 -1.26 -4.89 119.74 115.95 1cur s LYS 92 Ca 0.39 -0.30 -0.11 0.00 -1.36 0.00 0.00 55.97 54.59 1cur s LYS 92 Cb 0.38 -3.92 0.05 0.00 -1.68 0.00 0.00 37.83 32.66 1cur s LYS 92 CO -0.02 -0.96 1.08 0.20 -0.76 0.00 0.00 175.35 174.89 1cur s GLY 93 N 1.96 1.65 0.73 -3.33 0.00 -1.26 -4.67 107.32 102.40 1cur s GLY 93 Ca 0.23 0.05 -0.14 0.00 0.00 0.00 0.00 44.72 44.86 1cur s GLY 93 CO 0.18 0.42 1.15 2.56 0.00 0.00 0.00 173.10 177.42 1cur s PRO 94 N -5.01 2.27 0.82 2.90 0.04 -1.26 -4.58 135.00 130.18 1cur s PRO 94 Ca 0.60 1.54 -0.12 0.00 0.04 0.00 0.00 61.00 63.06 1cur s PRO 94 Cb -0.16 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.59 1cur s PRO 94 CO 0.55 -1.69 1.13 -1.25 0.04 0.00 0.00 177.00 175.79 1cur s PRO 95 N -4.16 1.92 0.19 0.56 0.04 -1.26 -5.19 135.00 127.10 1cur s PRO 95 Ca 0.69 0.34 0.08 0.00 0.04 0.00 0.00 61.00 62.16 1cur s PRO 95 Cb -0.24 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1cur s PRO 95 CO 0.46 -1.67 -0.05 0.71 0.04 0.00 0.00 177.00 176.49 1cur s TYR 96 N -3.36 2.71 0.55 0.56 2.02 -1.26 -5.07 117.35 113.49 1cur s TYR 96 Ca 0.62 -0.19 -0.14 0.00 -0.37 0.00 0.00 57.07 56.98 1cur s TYR 96 Cb -0.13 -1.30 -0.06 0.00 -0.40 0.00 0.00 41.96 40.07 1cur s TYR 96 CO 0.52 0.53 0.99 0.00 -1.57 0.00 0.00 175.55 176.02 1cur s ALA 97 N -1.80 3.09 0.19 3.71 0.00 -1.26 -4.19 121.76 121.50 1cur s ALA 97 Ca 0.27 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.24 1cur s ALA 97 Cb -0.09 -3.08 0.11 0.00 0.00 0.00 0.00 23.12 20.06 1cur s ALA 97 CO 0.17 -0.39 1.52 0.28 0.00 0.00 0.00 175.76 177.34 1cur h VAL 98 N 0.46 1.30 -4.12 0.00 2.07 -1.97 -3.29 116.25 110.70 1cur h VAL 98 Ca -0.46 -1.68 -0.46 0.00 0.82 0.00 0.00 66.70 64.92 1cur h VAL 98 Cb 1.19 1.63 0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1cur h VAL 98 CO 0.62 0.53 0.36 -0.04 0.02 0.00 0.00 177.57 179.06 1cur s MET 99 N -4.15 3.94 -0.47 1.57 -1.94 -1.26 -0.20 119.30 116.79 1cur s MET 99 Ca -0.08 1.12 -0.42 0.00 -1.71 0.00 0.00 55.69 54.60 1cur s MET 99 Cb 0.12 -2.13 -0.18 0.00 2.01 0.00 0.00 34.83 34.64 1cur s MET 99 CO 0.84 -0.28 1.92 -2.30 -0.01 0.00 0.00 175.02 175.19 1cur n PRO 100 N -1.18 0.00 -1.42 2.03 -0.02 -1.26 -4.80 135.00 128.35 1cur n PRO 100 Ca 0.07 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.28 1cur n PRO 100 Cb 0.54 -1.41 -0.07 0.00 -0.02 0.00 0.00 33.50 32.53 1cur n PRO 100 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1cur n VAL 101 N 5.68 3.83 -2.87 -1.45 0.31 -1.26 -4.82 118.33 117.75 1cur n VAL 101 Ca 0.48 -2.76 -0.43 0.00 -0.01 0.00 0.00 64.34 61.61 1cur n VAL 101 Cb -0.04 -2.01 -0.03 0.00 -0.91 0.00 0.00 33.84 30.85 1cur n VAL 101 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1cur s ILE 102 N -0.22 4.57 0.00 2.52 -5.25 -1.26 -4.99 121.20 116.57 1cur s ILE 102 Ca 0.62 -1.33 0.00 0.00 -0.99 0.00 0.00 60.65 58.95 1cur s ILE 102 Cb 0.28 -4.81 0.00 0.00 2.95 0.00 0.00 42.46 40.88 1cur s ILE 102 CO -0.10 -1.56 0.00 0.47 -1.79 0.00 0.00 174.94 171.96 1cur n ASP 103 N 7.00 0.00 -4.55 4.36 8.00 -1.26 -4.90 116.55 125.21 1cur n ASP 103 Ca 0.22 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.58 1cur n ASP 103 Cb 0.49 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.50 1cur n ASP 103 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1cur n PRO 104 N 0.00 0.46 -2.65 -0.24 -0.02 -1.26 -4.93 135.00 126.36 1cur n PRO 104 Ca 0.00 -0.78 -0.41 0.00 -2.02 0.00 0.00 63.50 60.29 1cur n PRO 104 Cb 0.00 -3.35 -0.05 0.00 -0.02 0.00 0.00 33.50 30.08 1cur n PRO 104 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1cur s ILE 105 N 13.01 4.17 0.00 4.25 -1.09 -1.26 -4.72 121.20 135.56 1cur s ILE 105 Ca 0.97 1.90 0.00 0.00 -2.23 0.00 0.00 60.65 61.30 1cur s ILE 105 Cb -0.22 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.45 1cur s ILE 105 CO 0.15 0.34 0.00 0.52 -1.23 0.00 0.00 174.94 174.72 1cur n VAL 106 N 2.35 0.00 -3.57 2.92 0.31 -0.21 -4.97 118.33 115.16 1cur n VAL 106 Ca 0.01 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.08 1cur n VAL 106 Cb 0.48 -0.14 -0.03 0.00 -0.91 0.00 0.00 33.84 33.24 1cur n VAL 106 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1cur s ALA 107 N -4.03 3.76 0.00 3.52 0.00 -1.21 -4.99 121.76 118.82 1cur s ALA 107 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1cur s ALA 107 Cb 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 21.04 1cur s ALA 107 CO 0.00 0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.47 1cur n GLY 108 N -0.95 0.77 3.37 0.00 0.00 -1.26 -0.30 105.19 106.82 1cur n GLY 108 Ca -0.04 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 1cur n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cur s THR 109 N -2.00 2.36 0.00 2.61 -4.23 0.56 -0.29 115.64 114.66 1cur s THR 109 Ca 0.00 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1cur s THR 109 Cb 0.00 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.94 1cur s THR 109 CO 0.00 0.47 0.00 0.61 -0.54 0.00 0.00 174.62 175.16 1cur n GLY 110 N 2.05 -1.69 3.58 3.99 0.00 -1.23 -3.58 105.19 108.32 1cur n GLY 110 Ca -0.16 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 1cur n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cur s PHE 111 N -0.15 1.66 0.80 1.61 0.08 -1.26 -4.00 117.98 116.71 1cur s PHE 111 Ca 0.00 0.75 -0.13 0.00 0.12 0.00 0.00 56.93 57.67 1cur s PHE 111 Cb 0.00 -4.05 0.08 0.00 -0.57 0.00 0.00 43.02 38.47 1cur s PHE 111 CO 0.00 -2.82 1.18 -1.54 -0.10 0.00 0.00 175.22 171.93 1cur s SER 112 N 7.34 3.80 0.60 1.36 1.04 -1.21 -4.91 113.70 121.71 1cur s SER 112 Ca 0.80 2.25 -0.18 0.00 0.48 0.00 0.00 55.95 59.29 1cur s SER 112 Cb -0.20 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.31 1cur s SER 112 CO 0.30 -2.52 1.16 -2.16 0.98 0.00 0.00 173.24 171.00 1cur s PRO 113 N -4.26 2.99 -0.54 4.02 0.04 -1.26 -4.21 135.00 131.78 1cur s PRO 113 Ca 0.70 1.67 0.06 0.00 0.04 0.00 0.00 61.00 63.48 1cur s PRO 113 Cb -0.26 -1.95 0.21 0.00 0.04 0.00 0.00 34.50 32.55 1cur s PRO 113 CO 0.51 -1.15 0.54 1.33 0.04 0.00 0.00 177.00 178.26 1cur n VAL 114 N -1.75 0.57 -0.41 -0.36 0.24 -1.26 -4.53 118.33 110.82 1cur n VAL 114 Ca 0.12 -4.41 -0.29 0.00 -2.04 0.00 0.00 64.34 57.72 1cur n VAL 114 Cb 0.51 -1.98 0.28 0.00 -1.47 0.00 0.00 33.84 31.17 1cur n VAL 114 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 1cur s PRO 115 N -1.33 -2.23 0.00 7.34 0.02 -1.26 -4.47 135.00 133.06 1cur s PRO 115 Ca 0.34 0.43 0.00 0.00 0.02 0.00 0.00 61.00 61.79 1cur s PRO 115 Cb 0.09 -1.43 0.00 0.00 0.02 0.00 0.00 34.50 33.17 1cur s PRO 115 CO -0.12 -4.49 0.00 1.63 -0.33 0.00 0.00 177.00 173.70 1cur n LYS 116 N -5.40 0.00 0.00 5.54 5.02 -1.26 -4.39 118.16 117.67 1cur n LYS 116 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1cur n LYS 116 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 1cur n LYS 116 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1cur n ASP 117 N -2.52 0.00 -0.50 4.39 2.03 -1.26 -2.05 116.55 116.63 1cur n ASP 117 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 1cur n ASP 117 Cb 0.00 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.52 1cur n ASP 117 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cur n GLY 118 N 0.00 2.81 3.85 0.27 0.00 -1.26 -5.01 105.19 105.85 1cur n GLY 118 Ca 0.00 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1cur n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cur s LYS 119 N -1.00 4.02 -0.20 1.61 1.02 -0.87 -1.39 119.74 122.93 1cur s LYS 119 Ca 0.18 0.75 -0.02 0.00 0.02 0.00 0.00 55.97 56.90 1cur s LYS 119 Cb 0.09 -2.36 0.06 0.00 -0.52 0.00 0.00 37.83 35.11 1cur s LYS 119 CO 0.12 0.07 0.02 -0.06 -0.92 0.00 0.00 175.35 174.58 1cur s PHE 120 N -2.11 1.28 -0.15 3.18 0.40 0.32 -4.25 117.98 116.65 1cur s PHE 120 Ca 0.56 -1.01 -0.29 0.00 -0.60 0.00 0.00 56.93 55.58 1cur s PHE 120 Cb -0.10 -1.13 -0.04 0.00 0.51 0.00 0.00 43.02 42.26 1cur s PHE 120 CO 0.19 -0.63 1.73 0.20 0.70 0.00 0.00 175.22 177.41 1cur s GLY 121 N 1.77 1.23 0.38 4.36 0.00 -1.24 -0.29 107.32 113.53 1cur s GLY 121 Ca -0.02 0.71 0.08 0.00 0.00 0.00 0.00 44.72 45.49 1cur s GLY 121 CO -0.08 3.16 -0.04 -2.52 0.00 0.00 0.00 173.10 173.62 1cur s TYR 122 N 5.22 2.46 -0.25 1.90 -0.85 0.38 -0.91 117.35 125.30 1cur s TYR 122 Ca 0.77 -0.58 -0.05 0.00 -0.52 0.00 0.00 57.07 56.69 1cur s TYR 122 Cb -0.30 -1.58 0.13 0.00 0.38 0.00 0.00 41.96 40.59 1cur s TYR 122 CO 0.31 0.52 0.48 0.99 -1.52 0.00 0.00 175.55 176.33 1cur s THR 123 N -2.66 -0.76 -1.09 -3.49 2.01 -1.18 -0.81 115.64 107.65 1cur s THR 123 Ca 0.34 0.04 -0.14 0.00 0.31 0.00 0.00 61.69 62.23 1cur s THR 123 Cb 0.06 -0.83 0.18 0.00 0.01 0.00 0.00 72.50 71.92 1cur s THR 123 CO 0.17 -0.01 1.25 -1.81 -0.69 0.00 0.00 174.62 173.53 1cur s ASP 124 N 2.69 6.97 0.27 3.53 1.11 -1.26 -0.64 116.67 129.34 1cur s ASP 124 Ca 0.06 -2.81 -0.09 0.00 0.18 0.00 0.00 52.55 49.89 1cur s ASP 124 Cb -0.14 -2.36 -0.07 0.00 1.07 0.00 0.00 42.92 41.43 1cur s ASP 124 CO -0.16 -0.75 0.58 0.72 1.18 0.00 0.00 175.17 176.74 1cur s PHE 125 N 1.33 3.44 0.06 4.23 -0.71 -0.28 -4.91 117.98 121.14 1cur s PHE 125 Ca 0.36 0.86 0.09 0.00 -1.04 0.00 0.00 56.93 57.20 1cur s PHE 125 Cb -0.05 -2.26 -0.03 0.00 -1.21 0.00 0.00 43.02 39.47 1cur s PHE 125 CO -0.04 0.20 -0.25 0.99 -1.34 0.00 0.00 175.22 174.78 1cur s THR 126 N -1.94 2.01 -0.03 -4.49 2.01 -1.26 -0.20 115.64 111.74 1cur s THR 126 Ca 0.47 -1.40 -0.05 0.00 0.31 0.00 0.00 61.69 61.03 1cur s THR 126 Cb -0.11 -1.73 0.01 0.00 0.01 0.00 0.00 72.50 70.67 1cur s THR 126 CO 0.24 0.26 0.12 0.86 -0.69 0.00 0.00 174.62 175.41 1cur s TRP 127 N -0.86 -0.04 -0.34 4.92 -0.00 0.56 -4.98 118.94 118.19 1cur s TRP 127 Ca 0.11 0.11 -0.06 0.00 -0.00 0.00 0.00 56.10 56.25 1cur s TRP 127 Cb -0.10 -0.01 0.04 0.00 -0.00 0.00 0.00 33.47 33.41 1cur s TRP 127 CO 0.03 -0.15 0.10 -1.01 -0.00 0.00 0.00 176.95 175.92 1cur s HIS 128 N -0.55 3.26 -0.05 5.86 3.76 -1.26 0.09 115.29 126.39 1cur s HIS 128 Ca -0.06 -1.43 -0.19 0.00 -0.15 0.00 0.00 55.06 53.23 1cur s HIS 128 Cb -0.04 -2.28 -0.05 0.00 1.11 0.00 0.00 32.58 31.32 1cur s HIS 128 CO 0.01 -0.73 0.52 -1.25 -0.85 0.00 0.00 174.74 172.43 1cur s PRO 129 N 1.40 4.27 0.50 8.40 0.04 -1.26 -4.87 135.00 143.48 1cur s PRO 129 Ca -0.02 0.57 -0.13 0.00 0.04 0.00 0.00 61.00 61.47 1cur s PRO 129 Cb -0.20 -3.36 -0.06 0.00 0.04 0.00 0.00 34.50 30.92 1cur s PRO 129 CO 0.03 0.33 0.91 0.95 0.04 0.00 0.00 177.00 179.25 1cur s THR 130 N 0.03 4.68 1.16 1.26 -4.23 -1.26 -0.68 115.64 116.60 1cur s THR 130 Ca 0.28 0.88 -0.13 0.00 -1.18 0.00 0.00 61.69 61.54 1cur s THR 130 Cb -0.17 -3.76 0.28 0.00 1.34 0.00 0.00 72.50 70.19 1cur s THR 130 CO 0.14 -0.73 1.03 0.00 -0.54 0.00 0.00 174.62 174.52 1cur s ALA 131 N -2.65 -0.44 0.00 3.99 0.00 -1.26 -4.73 121.76 116.66 1cur s ALA 131 Ca 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1cur s ALA 131 Cb -0.10 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1cur s ALA 131 CO 0.37 -3.84 0.00 0.41 0.00 0.00 0.00 175.76 172.70 1cur n GLY 132 N 0.79 -2.38 3.79 0.00 0.00 0.62 -4.87 105.19 103.13 1cur n GLY 132 Ca 0.03 -2.18 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 1cur n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cur s THR 133 N -0.80 4.42 0.23 2.61 2.01 -1.26 -0.43 115.64 122.42 1cur s THR 133 Ca 0.00 1.59 0.00 0.00 0.31 0.00 0.00 61.69 63.60 1cur s THR 133 Cb 0.00 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 1cur s THR 133 CO 0.00 0.42 0.12 -0.31 -0.69 0.00 0.00 174.62 174.16 1cur s TYR 134 N -1.27 1.35 -0.00 4.92 1.51 0.29 -4.77 117.35 119.37 1cur s TYR 134 Ca 0.38 -1.29 -0.04 0.00 -1.01 0.00 0.00 57.07 55.11 1cur s TYR 134 Cb -0.21 -0.72 -0.00 0.00 -0.11 0.00 0.00 41.96 40.91 1cur s TYR 134 CO 0.25 -0.50 0.07 0.71 -1.11 0.00 0.00 175.55 174.97 1cur s TYR 135 N -3.96 0.06 -0.03 2.71 1.51 0.87 -0.32 117.35 118.19 1cur s TYR 135 Ca 0.38 -0.14 0.05 0.00 -1.01 0.00 0.00 57.07 56.36 1cur s TYR 135 Cb 0.07 -0.07 -0.03 0.00 -0.11 0.00 0.00 41.96 41.83 1cur s TYR 135 CO 0.13 -0.18 -0.17 1.52 -1.11 0.00 0.00 175.55 175.74 1cur s TYR 136 N -0.96 2.61 0.02 2.71 -0.85 -0.09 -0.97 117.35 119.83 1cur s TYR 136 Ca -0.10 -0.23 -0.06 0.00 -0.52 0.00 0.00 57.07 56.16 1cur s TYR 136 Cb -0.06 -1.58 -0.01 0.00 0.38 0.00 0.00 41.96 40.70 1cur s TYR 136 CO 0.00 0.15 0.11 0.14 -1.52 0.00 0.00 175.55 174.43 1cur s VAL 137 N -0.74 0.11 -0.23 -3.49 -7.23 0.09 -2.08 120.40 106.83 1cur s VAL 137 Ca 0.12 -0.91 -0.12 0.00 -1.81 0.00 0.00 61.98 59.26 1cur s VAL 137 Cb -0.10 -0.66 -0.05 0.00 0.56 0.00 0.00 36.38 36.13 1cur s VAL 137 CO 0.01 -0.50 0.21 0.00 -0.31 0.00 0.00 175.10 174.51 1cur n GLN 139 N 4.23 0.73 -1.79 0.00 1.13 -1.24 -2.68 117.38 117.75 1cur n GLN 139 Ca -0.14 -0.22 -0.42 0.00 -1.94 0.00 0.00 57.00 54.28 1cur n GLN 139 Cb 0.52 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.34 1cur n GLN 139 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1cur s ILE 140 N -2.43 2.19 -0.24 5.09 1.01 -1.25 -4.11 121.20 121.46 1cur s ILE 140 Ca 0.31 0.14 -0.42 0.00 0.00 0.00 0.00 60.65 60.67 1cur s ILE 140 Cb 0.20 -3.09 -0.19 0.00 0.01 0.00 0.00 42.46 39.39 1cur s ILE 140 CO 0.46 0.01 1.29 -2.65 0.00 0.00 0.00 174.94 174.05 1cur n PRO 141 N 3.83 0.00 0.00 2.79 -0.02 -1.26 -1.02 135.00 139.33 1cur n PRO 141 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1cur n PRO 141 Cb 0.36 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1cur n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cur n GLY 142 N 2.65 3.13 0.20 -1.23 0.00 0.72 -4.89 105.19 105.78 1cur n GLY 142 Ca 0.25 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 1cur n GLY 142 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1cur h HIS 143 N 0.00 0.72 -0.10 1.61 3.86 -1.31 0.10 115.15 120.03 1cur h HIS 143 Ca 0.00 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.06 1cur h HIS 143 Cb 0.00 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.29 1cur h HIS 143 CO 0.00 0.79 0.04 0.00 0.86 0.00 0.00 177.93 179.62 1cur h ALA 144 N 0.83 0.14 0.19 2.45 0.00 -1.68 0.18 119.26 121.37 1cur h ALA 144 Ca 0.09 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1cur h ALA 144 Cb 0.54 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1cur h ALA 144 CO 0.03 -0.28 -0.26 0.00 0.00 0.00 0.00 179.25 178.74 1cur h ALA 145 N 0.88 -0.49 -2.13 0.00 0.00 -1.59 -3.40 119.26 112.54 1cur h ALA 145 Ca 0.03 -0.06 -0.50 0.00 0.00 0.00 0.00 54.91 54.38 1cur h ALA 145 Cb 0.17 0.39 -0.34 0.00 0.00 0.00 0.00 17.79 18.01 1cur h ALA 145 CO -0.00 -0.81 -0.86 0.95 0.00 0.00 0.00 179.25 178.52 1cur s THR 146 N -6.06 0.04 0.01 0.00 -4.23 0.33 -4.71 115.64 101.02 1cur s THR 146 Ca -0.16 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.20 1cur s THR 146 Cb 0.07 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.93 1cur s THR 146 CO 0.65 -0.96 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1cur n GLY 147 N 3.09 -1.72 3.55 3.99 0.00 -0.27 -4.52 105.19 109.32 1cur n GLY 147 Ca 0.25 0.66 -0.08 0.00 0.00 0.00 0.00 46.02 46.85 1cur n GLY 147 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1cur s MET 148 N -1.62 0.63 0.00 1.61 0.23 0.46 -3.36 119.30 117.25 1cur s MET 148 Ca 0.00 1.13 0.00 0.00 -1.03 0.00 0.00 55.69 55.79 1cur s MET 148 Cb 0.00 0.13 0.00 0.00 -1.53 0.00 0.00 34.83 33.43 1cur s MET 148 CO 0.00 -0.16 0.00 1.97 -2.03 0.00 0.00 175.02 174.80 1cur n PHE 149 N 4.36 -0.14 0.00 3.16 -1.74 -1.26 -3.69 117.46 118.16 1cur n PHE 149 Ca -0.20 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.69 1cur n PHE 149 Cb 0.58 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.58 1cur n PHE 149 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1cur n GLY 150 N 0.00 1.07 3.65 4.97 0.00 -0.89 -4.45 105.19 109.55 1cur n GLY 150 Ca 0.00 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 1cur n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cur s LYS 151 N -2.00 2.38 0.02 1.61 1.02 -1.23 -0.91 119.74 120.63 1cur s LYS 151 Ca 0.00 -1.08 0.05 0.00 0.02 0.00 0.00 55.97 54.96 1cur s LYS 151 Cb 0.00 -2.36 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 1cur s LYS 151 CO 0.00 0.47 -0.15 0.42 -0.92 0.00 0.00 175.35 175.17 1cur s ILE 152 N -1.64 1.18 -0.30 2.17 1.01 0.56 -0.55 121.20 123.63 1cur s ILE 152 Ca 0.27 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 60.02 1cur s ILE 152 Cb -0.10 -1.03 0.10 0.00 0.01 0.00 0.00 42.46 41.44 1cur s ILE 152 CO 0.18 0.15 0.11 -0.69 0.00 0.00 0.00 174.94 174.69 1cur s VAL 153 N -0.64 0.47 -0.15 2.92 1.01 0.74 -0.55 120.40 124.20 1cur s VAL 153 Ca 0.04 -1.12 -0.20 0.00 0.00 0.00 0.00 61.98 60.70 1cur s VAL 153 Cb -0.07 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1cur s VAL 153 CO 0.01 -0.69 0.57 -0.69 0.00 0.00 0.00 175.10 174.30 1cur s VAL 154 N 1.83 5.09 0.00 2.92 1.01 0.43 -0.54 120.40 131.14 1cur s VAL 154 Ca 0.09 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.19 1cur s VAL 154 Cb -0.17 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1cur s VAL 154 CO -0.30 0.21 0.00 0.29 0.00 0.00 0.00 175.10 175.30