#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cur n THR 2 N 0.00 2.89 0.00 2.61 -2.24 -1.26 -4.78 114.28 111.50 1cur n THR 2 Ca 0.00 -2.60 0.00 0.00 -2.27 0.00 0.00 64.05 59.18 1cur n THR 2 Cb 0.00 -2.47 0.00 0.00 -2.10 0.00 0.00 70.33 65.76 1cur n THR 2 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1cur n LEU 3 N 7.16 0.00 -3.64 3.22 4.32 -1.26 -4.98 117.00 121.82 1cur n LEU 3 Ca 0.51 0.40 -0.04 0.00 -0.02 0.00 0.00 56.01 56.86 1cur n LEU 3 Cb 0.40 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.14 1cur n LEU 3 CO 0.92 0.00 1.07 -0.62 -1.22 0.00 0.00 177.39 177.54 1cur s ASP 4 N -2.22 -0.13 -0.23 -1.43 2.15 -0.96 -4.30 116.67 109.55 1cur s ASP 4 Ca 0.00 0.22 0.22 0.00 0.43 0.00 0.00 52.55 53.42 1cur s ASP 4 Cb 0.00 0.21 0.50 0.00 -0.30 0.00 0.00 42.92 43.33 1cur s ASP 4 CO 0.00 -0.07 1.12 0.35 -0.17 0.00 0.00 175.17 176.41 1cur n THR 5 N 1.33 1.24 -1.39 1.71 -2.24 -1.26 -1.27 114.28 112.40 1cur n THR 5 Ca -0.08 -2.81 -0.39 0.00 -2.27 0.00 0.00 64.05 58.49 1cur n THR 5 Cb 0.57 1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 69.84 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 -0.49 4.02 -2.60 4.28 -1.04 -1.26 -4.93 114.28 112.25 1cur n THR 6 Ca 0.10 -2.64 -0.43 0.00 -2.04 0.00 0.00 64.05 59.05 1cur n THR 6 Cb 0.85 -2.60 -0.02 0.00 -1.82 0.00 0.00 70.33 66.74 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 2.50 3.34 0.26 -1.42 0.23 -1.26 -4.25 118.94 118.34 1cur s TRP 7 Ca 0.63 1.43 -0.01 0.00 -2.03 0.00 0.00 56.10 56.12 1cur s TRP 7 Cb 0.17 -3.29 -0.03 0.00 0.03 0.00 0.00 33.47 30.35 1cur s TRP 7 CO -0.06 -0.67 0.26 0.15 0.96 0.00 0.00 176.95 177.59 1cur s LYS 8 N 2.43 1.49 0.01 4.98 -0.14 -0.07 -5.02 119.74 123.42 1cur s LYS 8 Ca 0.50 -1.70 -0.02 0.00 -1.36 0.00 0.00 55.97 53.39 1cur s LYS 8 Cb -0.19 0.33 -0.01 0.00 -1.68 0.00 0.00 37.83 36.28 1cur s LYS 8 CO 0.16 -0.55 0.01 -1.21 -0.76 0.00 0.00 175.35 173.01 1cur s GLU 9 N -3.81 0.32 0.00 1.68 8.01 -1.26 -0.44 118.70 123.20 1cur s GLU 9 Ca 0.36 -0.48 0.00 0.00 0.01 0.00 0.00 54.97 54.86 1cur s GLU 9 Cb 0.04 0.12 0.00 0.00 -4.31 0.00 0.00 34.13 29.98 1cur s GLU 9 CO 0.17 -0.06 0.00 0.00 0.01 0.00 0.00 175.26 175.38 1cur n ALA 10 N 1.75 0.00 -2.33 5.21 0.00 0.39 -4.89 120.51 120.64 1cur n ALA 10 Ca -0.22 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.04 1cur n ALA 10 Cb 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 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 1.57 0.45 0.18 0.00 -4.23 -1.26 -0.22 115.64 112.13 1cur s THR 11 Ca 0.00 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.28 1cur s THR 11 Cb 0.00 -2.57 0.06 0.00 1.34 0.00 0.00 72.50 71.33 1cur s THR 11 CO 0.00 0.00 1.44 -0.11 -0.54 0.00 0.00 174.62 175.41 1cur n LEU 12 N -0.53 -0.82 -0.03 4.79 0.00 -0.78 -0.59 117.00 119.04 1cur n LEU 12 Ca 0.00 1.65 0.14 0.00 0.00 0.00 0.00 56.01 57.79 1cur n LEU 12 Cb 0.66 -0.28 0.56 0.00 0.00 0.00 0.00 43.42 44.35 1cur n LEU 12 CO 0.36 -1.40 1.18 1.55 0.00 0.00 0.00 177.39 179.08 1cur h PRO 13 N 0.00 0.27 -0.10 1.96 0.13 -1.98 0.60 132.00 132.88 1cur h PRO 13 Ca 0.23 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.28 1cur h PRO 13 Cb 0.46 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 1cur h PRO 13 CO -0.90 0.18 -0.23 1.96 -0.23 0.00 0.00 178.00 178.78 1cur h GLN 14 N 0.27 0.17 -0.25 0.86 7.50 -1.26 -0.80 115.11 121.61 1cur h GLN 14 Ca 0.25 -0.05 0.05 0.00 0.50 0.00 0.00 58.65 59.39 1cur h GLN 14 Cb 0.61 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 28.08 1cur h GLN 14 CO -0.05 0.40 -0.04 0.28 -1.50 0.00 0.00 178.83 177.92 1cur h VAL 15 N 0.16 0.78 -0.03 -0.54 2.07 -0.80 0.12 116.25 118.01 1cur h VAL 15 Ca 0.03 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.56 1cur h VAL 15 Cb 0.50 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1cur h VAL 15 CO 0.03 0.01 -0.10 0.11 0.02 0.00 0.00 177.57 177.64 1cur h LYS 16 N 0.03 -0.16 -0.43 1.57 1.57 -1.43 -0.41 116.57 117.32 1cur h LYS 16 Ca 0.12 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.00 1cur h LYS 16 Cb 0.17 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.43 1cur h LYS 16 CO -0.24 -0.10 -0.19 0.00 -0.57 0.00 0.00 179.45 178.35 1cur h ALA 17 N 0.84 0.13 0.30 3.86 0.00 -0.25 0.11 119.26 124.24 1cur h ALA 17 Ca 0.05 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1cur h ALA 17 Cb 0.23 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1cur h ALA 17 CO -0.12 -0.55 -0.14 0.52 0.00 0.00 0.00 179.25 178.96 1cur h MET 18 N -0.11 -0.39 -0.96 0.00 2.86 -0.63 -3.09 114.93 112.62 1cur h MET 18 Ca 0.21 0.03 0.17 0.00 -2.06 0.00 0.00 59.70 58.05 1cur h MET 18 Cb 0.43 0.09 -0.10 0.00 0.06 0.00 0.00 31.60 32.07 1cur h MET 18 CO -0.50 -0.22 0.57 -0.07 1.06 0.00 0.00 176.91 177.75 1cur h LEU 19 N -0.46 0.73 -2.58 1.22 3.38 -0.21 0.88 115.31 118.27 1cur h LEU 19 Ca -0.04 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1cur h LEU 19 Cb 0.35 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1cur h LEU 19 CO 0.07 0.28 0.04 -0.33 0.09 0.00 0.00 178.44 178.58 1cur h GLU 20 N 0.75 0.00 0.17 1.13 5.08 -0.73 -3.15 114.58 117.82 1cur h GLU 20 Ca 0.54 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.89 1cur h GLU 20 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1cur h GLU 20 CO -0.37 0.00 -0.08 0.87 -1.00 0.00 0.00 179.01 178.43 1cur h LYS 21 N 0.00 -0.22 0.00 2.33 1.57 -0.83 -3.45 116.57 115.97 1cur h LYS 21 Ca 0.01 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1cur h LYS 21 Cb 0.08 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1cur h LYS 21 CO -0.00 -0.15 0.00 -3.47 -0.57 0.00 0.00 179.45 175.26 1cur n ASP 22 N -3.18 0.00 -3.55 0.86 2.03 -1.19 -4.71 116.55 106.81 1cur n ASP 22 Ca -0.03 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.02 1cur n ASP 22 Cb 0.09 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.51 1cur n ASP 22 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1cur n THR 23 N 0.00 -1.76 -3.68 5.18 -2.24 -1.26 -4.57 114.28 105.95 1cur n THR 23 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1cur n THR 23 Cb 0.00 -2.73 -0.17 0.00 -2.10 0.00 0.00 70.33 65.33 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 -3.00 0.12 -0.27 3.38 0.00 -1.26 -4.43 107.32 101.85 1cur s GLY 24 Ca 0.51 0.38 -0.29 0.00 0.00 0.00 0.00 44.72 45.32 1cur s GLY 24 CO 0.63 1.41 1.07 0.54 0.00 0.00 0.00 173.10 176.75 1cur s LYS 25 N 2.05 4.16 -1.05 2.90 1.02 0.52 -4.64 119.74 124.69 1cur s LYS 25 Ca 0.02 1.22 -0.23 0.00 0.02 0.00 0.00 55.97 57.00 1cur s LYS 25 Cb -0.12 -3.70 -0.13 0.00 -0.52 0.00 0.00 37.83 33.37 1cur s LYS 25 CO -0.04 -0.78 1.93 0.28 -0.92 0.00 0.00 175.35 175.82 1cur n VAL 26 N 5.61 1.69 -1.81 3.17 0.31 -1.26 -0.48 118.33 125.56 1cur n VAL 26 Ca 0.12 -1.69 -0.42 0.00 -0.01 0.00 0.00 64.34 62.34 1cur n VAL 26 Cb 0.47 -2.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 1cur n VAL 26 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1cur n SER 27 N 13.13 4.02 0.00 4.52 7.64 0.15 -4.86 113.62 138.23 1cur n SER 27 Ca 0.46 -2.87 0.00 0.00 1.01 0.00 0.00 58.87 57.47 1cur n SER 27 Cb 0.45 -1.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.01 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 3.96 2.33 0.21 0.23 0.00 -1.26 -0.82 105.19 109.83 1cur n GLY 28 Ca 0.51 0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.88 1cur n GLY 28 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1cur h ASP 29 N 0.00 0.00 -3.52 1.61 1.82 -1.95 -3.44 116.42 110.95 1cur h ASP 29 Ca 0.00 0.00 -0.71 0.00 -0.39 0.00 0.00 57.03 55.93 1cur h ASP 29 Cb 0.00 0.00 -0.20 0.00 0.68 0.00 0.00 39.33 39.81 1cur h ASP 29 CO 0.00 0.00 -0.34 -0.89 -1.61 0.00 0.00 179.24 176.40 1cur s THR 30 N -3.26 5.19 -0.37 2.25 2.01 -0.00 -0.90 115.64 120.56 1cur s THR 30 Ca 0.07 -0.52 -0.29 0.00 0.31 0.00 0.00 61.69 61.25 1cur s THR 30 Cb 0.07 -3.97 0.02 0.00 0.01 0.00 0.00 72.50 68.62 1cur s THR 30 CO 0.64 -0.36 1.14 -0.69 -0.69 0.00 0.00 174.62 174.66 1cur s VAL 31 N 1.87 4.34 -0.23 3.82 1.01 0.83 0.34 120.40 132.38 1cur s VAL 31 Ca 0.08 1.50 -0.07 0.00 0.00 0.00 0.00 61.98 63.49 1cur s VAL 31 Cb -0.18 -4.42 -0.03 0.00 0.00 0.00 0.00 36.38 31.75 1cur s VAL 31 CO 0.12 -0.64 0.05 -0.89 0.00 0.00 0.00 175.10 173.73 1cur s THR 32 N 4.05 4.23 0.74 3.92 2.01 0.37 -2.15 115.64 128.81 1cur s THR 32 Ca 0.48 -0.21 -0.10 0.00 0.31 0.00 0.00 61.69 62.17 1cur s THR 32 Cb -0.11 -2.96 0.05 0.00 0.01 0.00 0.00 72.50 69.49 1cur s THR 32 CO 0.22 0.37 1.10 -0.31 -0.69 0.00 0.00 174.62 175.31 1cur s TYR 33 N 1.42 3.10 -0.38 4.92 1.51 0.12 -0.36 117.35 127.68 1cur s TYR 33 Ca 0.05 0.79 0.10 0.00 -1.01 0.00 0.00 57.07 57.01 1cur s TYR 33 Cb -0.15 -3.24 0.40 0.00 -0.11 0.00 0.00 41.96 38.86 1cur s TYR 33 CO 0.03 -1.44 1.41 0.43 -1.11 0.00 0.00 175.55 174.87 1cur n SER 34 N -3.09 -1.70 -3.60 2.29 7.64 -1.26 -4.74 113.62 109.16 1cur n SER 34 Ca 0.07 -2.39 0.03 0.00 1.01 0.00 0.00 58.87 57.59 1cur n SER 34 Cb 0.59 0.89 -0.00 0.00 -1.01 0.00 0.00 64.21 64.68 1cur n SER 34 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1cur s GLY 35 N -1.23 -0.45 0.13 0.23 0.00 -1.26 -5.05 107.32 99.69 1cur s GLY 35 Ca 0.18 0.79 0.03 0.00 0.00 0.00 0.00 44.72 45.72 1cur s GLY 35 CO -0.10 0.36 1.28 0.50 0.00 0.00 0.00 173.10 175.14 1cur h LYS 36 N 2.00 0.13 -4.57 2.90 1.79 -1.94 -3.40 116.57 113.49 1cur h LYS 36 Ca -0.32 -0.19 -0.69 0.00 -2.18 0.00 0.00 60.65 57.28 1cur h LYS 36 Cb 1.20 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 31.87 1cur h LYS 36 CO 0.29 1.03 2.76 2.41 -1.08 0.00 0.00 179.45 184.87 1cur n THR 37 N -3.50 3.39 -2.58 -0.16 -1.04 -1.26 -0.26 114.28 108.87 1cur n THR 37 Ca -0.03 -3.15 -0.42 0.00 -2.04 0.00 0.00 64.05 58.41 1cur n THR 37 Cb 0.91 -2.50 -0.02 0.00 -1.82 0.00 0.00 70.33 66.90 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 3.87 4.03 -0.64 12.58 1.01 -0.33 -4.93 120.40 135.99 1cur s VAL 38 Ca 0.50 -1.24 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 1cur s VAL 38 Cb 0.11 -5.11 0.05 0.00 0.00 0.00 0.00 36.38 31.44 1cur s VAL 38 CO -0.02 -1.96 1.03 -2.28 0.00 0.00 0.00 175.10 171.86 1cur s HIS 39 N 4.61 2.63 -0.38 5.22 2.46 -1.26 -0.32 115.29 128.25 1cur s HIS 39 Ca 0.49 -0.26 -0.12 0.00 0.47 0.00 0.00 55.06 55.64 1cur s HIS 39 Cb 0.01 -4.30 0.02 0.00 -0.13 0.00 0.00 32.58 28.18 1cur s HIS 39 CO -0.03 -1.64 0.24 0.08 -2.47 0.00 0.00 174.74 170.91 1cur s VAL 40 N 4.39 4.83 -0.56 0.89 1.01 0.17 -4.47 120.40 126.66 1cur s VAL 40 Ca 0.28 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 1cur s VAL 40 Cb -0.14 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.66 1cur s VAL 40 CO 0.14 -0.24 0.66 -0.69 0.00 0.00 0.00 175.10 174.98 1cur s VAL 41 N 1.60 4.87 -0.47 2.92 1.01 -1.26 -0.04 120.40 129.04 1cur s VAL 41 Ca 0.03 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 1cur s VAL 41 Cb -0.19 -4.42 0.08 0.00 0.00 0.00 0.00 36.38 31.85 1cur s VAL 41 CO 0.08 -1.01 0.37 0.00 0.00 0.00 0.00 175.10 174.54 1cur s ALA 42 N 2.58 3.50 -0.44 5.51 0.00 0.33 -0.80 121.76 132.44 1cur s ALA 42 Ca 0.12 -2.18 -0.22 0.00 0.00 0.00 0.00 51.96 49.67 1cur s ALA 42 Cb -0.23 -2.98 0.02 0.00 0.00 0.00 0.00 23.12 19.93 1cur s ALA 42 CO 0.08 -1.75 0.73 0.00 0.00 0.00 0.00 175.76 174.82 1cur s ALA 43 N 1.57 3.33 -0.69 0.00 0.00 0.11 -0.33 121.76 125.75 1cur s ALA 43 Ca 0.04 -1.04 -0.16 0.00 0.00 0.00 0.00 51.96 50.79 1cur s ALA 43 Cb -0.25 -3.39 0.15 0.00 0.00 0.00 0.00 23.12 19.63 1cur s ALA 43 CO 0.05 -1.82 0.71 0.00 0.00 0.00 0.00 175.76 174.70 1cur s ALA 44 N 3.10 3.71 -0.81 0.00 0.00 0.08 -1.06 121.76 126.77 1cur s ALA 44 Ca 0.27 -2.75 -0.01 0.00 0.00 0.00 0.00 51.96 49.48 1cur s ALA 44 Cb -0.13 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1cur s ALA 44 CO 0.21 -2.30 0.64 0.28 0.00 0.00 0.00 175.76 174.58 1cur n VAL 45 N 4.92 -5.52 -2.43 0.00 0.31 -1.26 -3.73 118.33 110.62 1cur n VAL 45 Ca 0.01 -0.11 -0.33 0.00 -0.01 0.00 0.00 64.34 63.90 1cur n VAL 45 Cb 0.44 -4.21 -0.03 0.00 -0.91 0.00 0.00 33.84 29.13 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 -4.71 3.71 -0.50 7.52 1.43 -1.26 -3.87 118.68 120.99 1cur s LEU 46 Ca 0.01 1.75 -0.40 0.00 -1.03 0.00 0.00 54.13 54.46 1cur s LEU 46 Cb -0.01 -4.53 -0.17 0.00 0.03 0.00 0.00 46.19 41.51 1cur s LEU 46 CO 0.85 -0.74 2.21 -2.65 0.23 0.00 0.00 176.35 176.25 1cur n PRO 47 N -1.36 0.33 0.00 1.29 -0.02 -1.26 -0.55 135.00 133.42 1cur n PRO 47 Ca 0.08 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1cur n PRO 47 Cb 0.53 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 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 7.11 3.70 3.66 -1.23 0.00 -1.26 -5.07 105.19 112.11 1cur n GLY 48 Ca 0.52 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 3.38 -0.01 1.61 0.08 0.29 -4.96 117.98 118.36 1cur s PHE 49 Ca 0.00 1.41 -0.21 0.00 0.12 0.00 0.00 56.93 58.25 1cur s PHE 49 Cb 0.00 -3.19 -0.12 0.00 -0.57 0.00 0.00 43.02 39.14 1cur s PHE 49 CO 0.00 -0.39 0.89 -1.00 -0.10 0.00 0.00 175.22 174.62 1cur h PRO 50 N 7.41 -0.68 -1.92 0.24 0.13 -1.92 -3.40 132.00 131.86 1cur h PRO 50 Ca -0.23 0.05 0.24 0.00 -0.87 0.00 0.00 66.00 65.19 1cur h PRO 50 Cb 1.09 0.15 -0.10 0.00 0.13 0.00 0.00 31.00 32.27 1cur h PRO 50 CO 0.92 -0.42 0.64 -0.06 -0.23 0.00 0.00 178.00 178.85 1cur s PHE 51 N -4.02 -0.10 -0.01 1.56 0.08 -1.26 -5.00 117.98 109.23 1cur s PHE 51 Ca -0.11 -0.11 0.05 0.00 0.12 0.00 0.00 56.93 56.87 1cur s PHE 51 Cb 0.01 0.59 -0.07 0.00 -0.57 0.00 0.00 43.02 42.98 1cur s PHE 51 CO 0.35 -0.56 0.09 -0.35 -0.10 0.00 0.00 175.22 174.65 1cur n PRO 52 N -0.46 0.66 -2.14 0.24 -0.04 -1.26 -5.14 135.00 126.86 1cur n PRO 52 Ca -0.07 -0.04 -0.36 0.00 -0.04 0.00 0.00 63.50 62.99 1cur n PRO 52 Cb 0.62 -1.11 0.01 0.00 -0.04 0.00 0.00 33.50 32.98 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 -2.71 5.66 0.08 3.54 1.04 -1.26 -4.65 113.70 115.41 1cur s SER 53 Ca -0.02 2.34 -0.30 0.00 0.48 0.00 0.00 55.95 58.44 1cur s SER 53 Cb 0.03 -2.60 -0.06 0.00 0.10 0.00 0.00 66.02 63.49 1cur s SER 53 CO 0.19 -1.27 1.13 -0.36 0.98 0.00 0.00 173.24 173.92 1cur s PHE 54 N -1.60 3.52 -0.18 5.02 0.08 -0.89 -4.32 117.98 119.60 1cur s PHE 54 Ca 0.71 1.45 -0.08 0.00 0.12 0.00 0.00 56.93 59.13 1cur s PHE 54 Cb -0.29 -3.33 -0.04 0.00 -0.57 0.00 0.00 43.02 38.79 1cur s PHE 54 CO 0.33 -0.88 0.09 -1.21 -0.10 0.00 0.00 175.22 173.45 1cur s GLU 55 N 0.69 3.98 -0.05 0.44 8.01 -0.23 -1.63 118.70 129.92 1cur s GLU 55 Ca 0.55 -0.29 -0.01 0.00 0.01 0.00 0.00 54.97 55.23 1cur s GLU 55 Cb -0.28 -3.27 0.03 0.00 -4.31 0.00 0.00 34.13 26.30 1cur s GLU 55 CO 0.30 0.34 0.03 0.08 0.01 0.00 0.00 175.26 176.02 1cur s VAL 56 N 0.21 0.08 0.00 2.63 1.01 0.58 0.08 120.40 124.98 1cur s VAL 56 Ca 0.06 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1cur s VAL 56 Cb -0.12 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 35.98 1cur s VAL 56 CO -0.00 0.19 0.00 0.00 0.00 0.00 0.00 175.10 175.29 1cur n HIS 57 N 5.02 0.00 0.00 5.22 1.44 0.02 -0.79 115.22 126.13 1cur n HIS 57 Ca -0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.62 1cur n HIS 57 Cb 0.50 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.61 1cur n HIS 57 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1cur n ASP 58 N 0.71 0.00 -2.83 4.39 -0.08 -1.26 -4.90 116.55 112.58 1cur n ASP 58 Ca 0.00 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.17 1cur n ASP 58 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 1cur n ASP 58 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1cur n LYS 59 N 0.00 1.47 -4.07 -0.67 4.76 0.03 -5.15 118.16 114.52 1cur n LYS 59 Ca 0.00 -1.26 -0.22 0.00 -2.87 0.00 0.00 58.31 53.96 1cur n LYS 59 Cb 0.00 0.39 -0.17 0.00 -1.84 0.00 0.00 35.03 33.41 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 -2.62 1.00 -1.48 1.97 1.02 -1.26 -0.31 119.74 118.07 1cur s LYS 60 Ca 0.01 -0.11 -0.01 0.00 0.02 0.00 0.00 55.97 55.88 1cur s LYS 60 Cb 0.00 -1.07 0.00 0.00 -0.52 0.00 0.00 37.83 36.24 1cur s LYS 60 CO 0.01 -0.16 0.20 0.09 -0.92 0.00 0.00 175.35 174.57 1cur n ASN 61 N 4.46 0.29 -4.77 2.83 5.03 -0.64 -4.89 115.26 117.57 1cur n ASN 61 Ca -0.18 -1.15 -0.32 0.00 0.87 0.00 0.00 54.58 53.80 1cur n ASN 61 Cb 0.51 -2.27 0.07 0.00 -1.02 0.00 0.00 39.78 37.07 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 -7.00 2.49 0.27 3.52 0.04 -1.26 -4.77 135.00 128.29 1cur s PRO 62 Ca 0.01 1.26 -0.20 0.00 0.04 0.00 0.00 61.00 62.11 1cur s PRO 62 Cb -0.00 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 1cur s PRO 62 CO 0.95 -1.48 0.78 0.99 0.04 0.00 0.00 177.00 178.28 1cur s THR 63 N -2.66 4.52 -0.20 1.26 2.01 -0.08 -4.23 115.64 116.26 1cur s THR 63 Ca 0.64 1.32 -0.02 0.00 0.31 0.00 0.00 61.69 63.93 1cur s THR 63 Cb -0.19 -3.82 -0.00 0.00 0.01 0.00 0.00 72.50 68.50 1cur s THR 63 CO 0.50 0.09 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.66 1cur s LEU 64 N -2.25 2.68 -0.30 4.42 1.02 0.46 -0.12 118.68 124.59 1cur s LEU 64 Ca 0.47 -0.45 -0.13 0.00 0.02 0.00 0.00 54.13 54.05 1cur s LEU 64 Cb -0.15 -1.66 -0.04 0.00 0.02 0.00 0.00 46.19 44.36 1cur s LEU 64 CO 0.20 0.01 0.25 -1.61 0.02 0.00 0.00 176.35 175.23 1cur s GLU 65 N 1.27 3.83 -0.06 1.70 2.02 -0.92 -0.09 118.70 126.44 1cur s GLU 65 Ca 0.03 -0.33 0.05 0.00 0.02 0.00 0.00 54.97 54.74 1cur s GLU 65 Cb -0.14 -3.71 -0.00 0.00 0.10 0.00 0.00 34.13 30.38 1cur s GLU 65 CO -0.04 -0.29 -0.22 0.42 0.02 0.00 0.00 175.26 175.15 1cur s ILE 66 N 1.84 1.83 -0.22 -1.63 1.01 0.10 -0.70 121.20 123.42 1cur s ILE 66 Ca 0.09 -0.93 -0.29 0.00 0.00 0.00 0.00 60.65 59.52 1cur s ILE 66 Cb -0.16 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 1cur s ILE 66 CO 0.11 0.51 1.25 -2.16 0.00 0.00 0.00 174.94 174.65 1cur s PRO 67 N 0.06 4.13 0.23 2.79 0.04 -1.26 -0.30 135.00 140.69 1cur s PRO 67 Ca -0.08 1.50 -0.31 0.00 0.04 0.00 0.00 61.00 62.15 1cur s PRO 67 Cb -0.14 -3.79 -0.15 0.00 0.04 0.00 0.00 34.50 30.46 1cur s PRO 67 CO 0.05 -0.83 1.17 0.00 0.04 0.00 0.00 177.00 177.42 1cur n ALA 68 N 6.91 -0.17 0.00 8.56 0.00 0.23 -1.50 120.51 134.54 1cur n ALA 68 Ca 0.14 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1cur n ALA 68 Cb 0.45 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 1.77 1.42 3.68 0.00 0.00 -1.26 -5.02 105.19 105.78 1cur n GLY 69 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.54 0.12 -2.73 4.61 0.00 -0.56 -4.97 120.51 115.45 1cur n ALA 70 Ca 0.00 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.77 1cur n ALA 70 Cb 0.00 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.17 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 -1.91 4.75 -0.84 0.00 2.01 0.64 -4.28 115.64 116.02 1cur s THR 71 Ca 0.75 -0.28 -0.21 0.00 0.31 0.00 0.00 61.69 62.27 1cur s THR 71 Cb -0.32 -4.36 0.10 0.00 0.01 0.00 0.00 72.50 67.93 1cur s THR 71 CO 0.49 -0.88 1.10 -0.69 -0.69 0.00 0.00 174.62 173.95 1cur s VAL 72 N 2.97 4.50 -0.87 3.82 1.01 0.93 -1.19 120.40 131.56 1cur s VAL 72 Ca 0.19 -1.04 -0.25 0.00 0.00 0.00 0.00 61.98 60.89 1cur s VAL 72 Cb -0.17 -4.77 0.05 0.00 0.00 0.00 0.00 36.38 31.48 1cur s VAL 72 CO 0.14 -1.53 1.34 -1.81 0.00 0.00 0.00 175.10 173.23 1cur s ASP 73 N 3.78 6.34 -0.89 3.32 1.11 0.56 -0.52 116.67 130.38 1cur s ASP 73 Ca 0.30 -1.02 -0.25 0.00 0.18 0.00 0.00 52.55 51.76 1cur s ASP 73 Cb -0.09 -2.55 0.04 0.00 1.07 0.00 0.00 42.92 41.39 1cur s ASP 73 CO -0.02 -1.63 1.39 -0.69 1.18 0.00 0.00 175.17 175.40 1cur s VAL 74 N 5.16 3.81 -0.76 -1.27 1.01 0.08 -0.65 120.40 127.78 1cur s VAL 74 Ca 0.39 -0.22 -0.22 0.00 0.00 0.00 0.00 61.98 61.93 1cur s VAL 74 Cb -0.05 -4.96 0.07 0.00 0.00 0.00 0.00 36.38 31.45 1cur s VAL 74 CO 0.02 -1.87 1.09 -0.89 0.00 0.00 0.00 175.10 173.45 1cur s THR 75 N 5.50 4.28 0.59 3.92 2.01 0.95 -1.44 115.64 131.45 1cur s THR 75 Ca 0.42 -0.53 -0.14 0.00 0.31 0.00 0.00 61.69 61.75 1cur s THR 75 Cb -0.04 -4.77 -0.04 0.00 0.01 0.00 0.00 72.50 67.66 1cur s THR 75 CO 0.02 -1.57 1.03 -0.36 -0.69 0.00 0.00 174.62 173.05 1cur s PHE 76 N 4.12 3.28 -0.38 4.92 0.08 0.29 -0.52 117.98 129.78 1cur s PHE 76 Ca 0.28 1.44 0.02 0.00 0.12 0.00 0.00 56.93 58.79 1cur s PHE 76 Cb -0.12 -2.86 0.15 0.00 -0.57 0.00 0.00 43.02 39.63 1cur s PHE 76 CO 0.05 -0.83 0.27 0.42 -0.10 0.00 0.00 175.22 175.04 1cur s ILE 77 N -2.77 0.17 -0.33 0.64 1.09 0.55 -3.11 121.20 117.45 1cur s ILE 77 Ca 0.59 -2.03 -0.09 0.00 -1.10 0.00 0.00 60.65 58.02 1cur s ILE 77 Cb -0.13 -1.13 0.01 0.00 -1.06 0.00 0.00 42.46 40.15 1cur s ILE 77 CO 0.42 -1.06 0.15 0.21 -0.10 0.00 0.00 174.94 174.57 1cur s ASN 78 N 0.70 5.53 -0.20 3.58 2.47 0.23 -0.74 114.94 126.50 1cur s ASN 78 Ca 0.24 -0.70 0.21 0.00 0.42 0.00 0.00 52.86 53.03 1cur s ASN 78 Cb -0.12 -1.99 0.46 0.00 -1.45 0.00 0.00 41.25 38.15 1cur s ASN 78 CO -0.07 -0.25 1.17 0.41 -3.72 0.00 0.00 177.10 174.64 1cur n THR 79 N 4.96 0.79 -1.47 -5.21 -1.04 -1.25 -3.49 114.28 107.57 1cur n THR 79 Ca -0.13 -2.15 -0.40 0.00 -2.04 0.00 0.00 64.05 59.33 1cur n THR 79 Cb 0.48 1.17 -0.02 0.00 -1.82 0.00 0.00 70.33 70.14 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 -0.47 5.90 -0.83 8.00 4.05 -1.24 -4.41 115.26 126.25 1cur n ASN 80 Ca 0.02 -2.69 0.00 0.00 0.45 0.00 0.00 54.58 52.36 1cur n ASN 80 Cb 0.88 -1.56 0.00 0.00 1.23 0.00 0.00 39.78 40.33 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 5.00 0.00 0.00 1.20 5.02 -1.25 -0.75 118.16 127.38 1cur n LYS 81 Ca 0.63 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1cur n LYS 81 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.32 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 0.05 2.88 3.55 0.72 0.00 -1.18 -5.00 105.19 106.21 1cur n GLY 82 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.27 2.20 -0.87 1.61 0.40 0.07 -4.87 117.98 114.24 1cur s PHE 83 Ca 0.00 0.02 -0.07 0.00 -0.60 0.00 0.00 56.93 56.28 1cur s PHE 83 Cb 0.00 -4.55 -0.06 0.00 0.51 0.00 0.00 43.02 38.92 1cur s PHE 83 CO 0.00 -2.10 2.05 0.41 0.70 0.00 0.00 175.22 176.29 1cur n GLY 84 N 5.57 3.02 0.26 4.36 0.00 -1.26 -4.54 105.19 112.60 1cur n GLY 84 Ca 0.09 -0.86 0.01 0.00 0.00 0.00 0.00 46.02 45.26 1cur n GLY 84 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1cur n HIS 85 N 4.54 0.12 -0.15 1.61 8.25 -1.26 -4.04 115.22 124.30 1cur n HIS 85 Ca 0.43 0.84 0.00 0.00 -0.26 0.00 0.00 57.72 58.73 1cur n HIS 85 Cb 0.15 -0.82 0.00 0.00 1.12 0.00 0.00 29.99 30.44 1cur n HIS 85 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1cur n SER 86 N -5.06 -2.23 -4.17 0.41 3.41 -1.26 -4.40 113.62 100.33 1cur n SER 86 Ca 0.09 0.11 -0.35 0.00 -0.26 0.00 0.00 58.87 58.46 1cur n SER 86 Cb 0.30 0.50 -0.13 0.00 -0.26 0.00 0.00 64.21 64.62 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 -1.50 3.31 -0.07 7.33 2.19 -1.25 -4.30 117.98 123.68 1cur s PHE 87 Ca 0.00 -1.94 0.02 0.00 0.33 0.00 0.00 56.93 55.34 1cur s PHE 87 Cb 0.00 -2.25 -0.03 0.00 -1.31 0.00 0.00 43.02 39.43 1cur s PHE 87 CO 0.00 -0.82 -0.10 -0.51 1.83 0.00 0.00 175.22 175.62 1cur s ASP 88 N 1.31 4.41 -0.05 6.13 1.01 0.32 -0.27 116.67 129.52 1cur s ASP 88 Ca -0.03 -0.10 0.04 0.00 0.71 0.00 0.00 52.55 53.17 1cur s ASP 88 Cb -0.20 -1.10 -0.00 0.00 1.01 0.00 0.00 42.92 42.63 1cur s ASP 88 CO -0.01 0.34 -0.19 -0.63 0.21 0.00 0.00 175.17 174.89 1cur s ILE 89 N -0.68 1.56 0.00 0.77 1.01 0.65 -0.53 121.20 123.97 1cur s ILE 89 Ca 0.10 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1cur s ILE 89 Cb -0.11 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.02 1cur s ILE 89 CO 0.01 0.45 0.00 1.07 0.00 0.00 0.00 174.94 176.47 1cur n THR 90 N 3.20 0.00 -0.05 2.92 5.66 -0.20 -0.93 114.28 124.87 1cur n THR 90 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1cur n THR 90 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 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 1.21 -2.30 1.09 5.02 -1.26 0.00 118.16 121.92 1cur n LYS 91 Ca 0.00 -1.03 -0.42 0.00 -2.02 0.00 0.00 58.31 54.84 1cur n LYS 91 Cb 0.00 -0.98 -0.03 0.00 -0.02 0.00 0.00 35.03 34.00 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 -0.54 4.38 0.47 1.97 1.02 -1.26 -4.77 119.74 121.00 1cur s LYS 92 Ca 0.00 1.92 0.05 0.00 0.02 0.00 0.00 55.97 57.96 1cur s LYS 92 Cb 0.00 -3.30 0.02 0.00 -0.52 0.00 0.00 37.83 34.03 1cur s LYS 92 CO 0.00 -0.34 0.65 0.20 -0.92 0.00 0.00 175.35 174.94 1cur s GLY 93 N 1.06 1.84 0.89 -3.33 0.00 -1.26 -4.68 107.32 101.85 1cur s GLY 93 Ca 0.61 -1.47 -0.12 0.00 0.00 0.00 0.00 44.72 43.74 1cur s GLY 93 CO 0.30 -1.26 1.10 2.56 0.00 0.00 0.00 173.10 175.80 1cur s PRO 94 N -4.51 1.28 0.14 2.90 0.04 -1.26 -4.44 135.00 129.15 1cur s PRO 94 Ca 0.55 0.57 -0.31 0.00 0.04 0.00 0.00 61.00 61.85 1cur s PRO 94 Cb -0.10 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 1cur s PRO 94 CO 0.35 -2.16 1.41 -2.14 0.04 0.00 0.00 177.00 174.50 1cur s PRO 95 N -5.09 4.31 0.41 0.56 0.02 -1.26 -5.14 135.00 128.80 1cur s PRO 95 Ca 0.63 2.13 -0.22 0.00 0.02 0.00 0.00 61.00 63.56 1cur s PRO 95 Cb -0.16 -3.22 -0.11 0.00 0.02 0.00 0.00 34.50 31.03 1cur s PRO 95 CO 0.55 -0.44 0.95 0.71 -0.33 0.00 0.00 177.00 178.44 1cur s TYR 96 N 0.94 3.39 0.51 6.54 2.02 -1.26 -5.06 117.35 124.44 1cur s TYR 96 Ca 0.64 1.65 -0.12 0.00 -0.37 0.00 0.00 57.07 58.87 1cur s TYR 96 Cb -0.38 -2.87 -0.06 0.00 -0.40 0.00 0.00 41.96 38.25 1cur s TYR 96 CO 0.32 -0.05 0.92 0.00 -1.57 0.00 0.00 175.55 175.18 1cur s ALA 97 N -2.05 3.18 0.37 3.71 0.00 -1.26 -4.22 121.76 121.49 1cur s ALA 97 Ca 0.59 -0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.54 1cur s ALA 97 Cb -0.11 -2.95 0.72 0.00 0.00 0.00 0.00 23.12 20.78 1cur s ALA 97 CO 0.16 -0.32 1.99 0.28 0.00 0.00 0.00 175.76 177.86 1cur h VAL 98 N 0.54 1.15 -3.28 0.00 2.07 -1.96 -3.37 116.25 111.40 1cur h VAL 98 Ca -0.46 -0.40 -0.54 0.00 0.82 0.00 0.00 66.70 66.11 1cur h VAL 98 Cb 1.19 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1cur h VAL 98 CO 0.62 0.17 0.51 -0.04 0.02 0.00 0.00 177.57 178.85 1cur s MET 99 N -5.38 4.47 -0.59 1.57 -1.94 -1.26 -0.39 119.30 115.77 1cur s MET 99 Ca -0.08 1.53 -0.27 0.00 -1.71 0.00 0.00 55.69 55.15 1cur s MET 99 Cb 0.17 -3.47 -0.01 0.00 2.01 0.00 0.00 34.83 33.53 1cur s MET 99 CO 0.75 -0.22 1.69 -1.25 -0.01 0.00 0.00 175.02 175.98 1cur s PRO 100 N 1.46 2.90 -0.89 2.03 0.04 -1.26 -4.91 135.00 134.36 1cur s PRO 100 Ca 0.53 0.54 -0.25 0.00 0.04 0.00 0.00 61.00 61.87 1cur s PRO 100 Cb -0.23 -4.29 0.02 0.00 0.04 0.00 0.00 34.50 30.05 1cur s PRO 100 CO 0.25 -2.42 1.51 0.08 0.04 0.00 0.00 177.00 176.46 1cur s VAL 101 N 7.84 3.75 0.00 -0.36 1.01 -1.26 -4.87 120.40 126.51 1cur s VAL 101 Ca 0.61 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1cur s VAL 101 Cb -0.13 -4.78 0.00 0.00 0.00 0.00 0.00 36.38 31.48 1cur s VAL 101 CO 0.22 -1.69 0.02 2.30 0.00 0.00 0.00 175.10 175.94 1cur n ILE 102 N 6.92 0.00 -2.14 2.22 -5.35 -1.26 -4.93 119.36 114.82 1cur n ILE 102 Ca 0.25 0.05 -0.35 0.00 -0.27 0.00 0.00 62.75 62.43 1cur n ILE 102 Cb 0.50 -0.13 0.02 0.00 -1.74 0.00 0.00 39.64 38.29 1cur n ILE 102 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1cur s ASP 103 N -1.08 5.48 -0.38 7.28 -0.00 -1.26 -3.76 116.67 122.95 1cur s ASP 103 Ca 0.00 2.26 -0.29 0.00 -0.00 0.00 0.00 52.55 54.52 1cur s ASP 103 Cb 0.00 -2.59 0.02 0.00 -0.00 0.00 0.00 42.92 40.35 1cur s ASP 103 CO 0.00 -1.39 1.18 -2.16 -0.00 0.00 0.00 175.17 172.80 1cur s PRO 104 N -3.33 3.86 0.10 8.23 0.04 -1.26 -5.14 135.00 137.50 1cur s PRO 104 Ca 0.75 0.92 -0.22 0.00 0.04 0.00 0.00 61.00 62.48 1cur s PRO 104 Cb -0.27 -3.86 -0.07 0.00 0.04 0.00 0.00 34.50 30.35 1cur s PRO 104 CO 0.30 -1.19 0.68 0.42 0.04 0.00 0.00 177.00 177.25 1cur s ILE 105 N 4.27 4.60 0.00 0.56 -1.09 -1.25 -4.67 121.20 123.63 1cur s ILE 105 Ca 0.50 1.46 0.00 0.00 -2.23 0.00 0.00 60.65 60.38 1cur s ILE 105 Cb -0.11 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.74 1cur s ILE 105 CO 0.25 0.51 0.00 0.52 -1.23 0.00 0.00 174.94 174.99 1cur n VAL 106 N 1.86 0.00 -2.87 2.92 0.31 -0.11 -5.00 118.33 115.43 1cur n VAL 106 Ca -0.07 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.04 1cur n VAL 106 Cb 0.50 -0.50 0.02 0.00 -0.91 0.00 0.00 33.84 32.94 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 -4.22 3.84 0.00 3.52 0.00 -1.16 -4.97 121.76 118.77 1cur s ALA 107 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1cur s ALA 107 Cb 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 21.03 1cur s ALA 107 CO 0.00 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1cur n GLY 108 N -2.16 -0.93 3.06 0.00 0.00 -1.26 -0.26 105.19 103.65 1cur n GLY 108 Ca 0.04 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 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 1.56 -1.53 2.61 -4.23 0.62 -2.26 115.64 110.41 1cur s THR 109 Ca 0.00 -0.67 -0.10 0.00 -1.18 0.00 0.00 61.69 59.74 1cur s THR 109 Cb 0.00 -1.42 -0.09 0.00 1.34 0.00 0.00 72.50 72.32 1cur s THR 109 CO 0.00 0.45 2.91 0.61 -0.54 0.00 0.00 174.62 178.06 1cur n GLY 110 N 4.27 4.13 2.02 3.99 0.00 -0.40 -3.86 105.19 115.34 1cur n GLY 110 Ca -0.19 -1.44 -0.01 0.00 0.00 0.00 0.00 46.02 44.38 1cur n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1cur n PHE 111 N 3.60 -1.87 -1.00 1.61 3.01 -1.26 -5.00 117.46 116.55 1cur n PHE 111 Ca 0.75 0.93 -0.31 0.00 1.01 0.00 0.00 57.45 59.84 1cur n PHE 111 Cb 0.24 -2.61 0.14 0.00 -0.01 0.00 0.00 39.48 37.23 1cur n PHE 111 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1cur s SER 112 N -0.57 3.55 0.69 4.37 1.04 -1.26 -4.91 113.70 116.61 1cur s SER 112 Ca -0.05 1.88 -0.15 0.00 0.48 0.00 0.00 55.95 58.12 1cur s SER 112 Cb 0.00 -2.47 0.02 0.00 0.10 0.00 0.00 66.02 63.67 1cur s SER 112 CO 0.35 -2.65 1.14 -2.16 0.98 0.00 0.00 173.24 170.90 1cur s PRO 113 N -4.79 2.52 -0.41 4.02 0.04 -1.26 -4.35 135.00 130.77 1cur s PRO 113 Ca 0.64 1.52 0.04 0.00 0.04 0.00 0.00 61.00 63.24 1cur s PRO 113 Cb -0.20 -1.90 0.17 0.00 0.04 0.00 0.00 34.50 32.60 1cur s PRO 113 CO 0.57 -1.49 0.42 0.08 0.04 0.00 0.00 177.00 176.62 1cur s VAL 114 N -2.23 -0.22 1.07 -0.36 1.01 -1.26 -4.58 120.40 113.83 1cur s VAL 114 Ca 0.69 -1.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 1cur s VAL 114 Cb -0.23 -0.75 0.19 0.00 0.00 0.00 0.00 36.38 35.58 1cur s VAL 114 CO 0.43 -0.71 0.82 -2.65 0.00 0.00 0.00 175.10 172.99 1cur n PRO 115 N 3.57 -1.49 -0.23 2.72 -0.02 -1.26 -3.11 135.00 135.19 1cur n PRO 115 Ca 0.18 -0.39 0.11 0.00 -2.02 0.00 0.00 63.50 61.38 1cur n PRO 115 Cb 0.47 -2.12 0.23 0.00 -0.02 0.00 0.00 33.50 32.06 1cur n PRO 115 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1cur n LYS 116 N -3.91 2.51 0.00 -0.52 4.76 -1.26 -3.76 118.16 115.98 1cur n LYS 116 Ca 0.06 -2.32 0.00 0.00 -2.87 0.00 0.00 58.31 53.17 1cur n LYS 116 Cb 0.55 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 1cur n LYS 116 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1cur n ASP 117 N 1.43 0.00 0.00 4.39 5.68 -1.26 -4.95 116.55 121.84 1cur n ASP 117 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.49 1cur n ASP 117 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 1cur n ASP 117 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cur n GLY 118 N -1.83 0.98 3.84 6.12 0.00 -1.26 -4.80 105.19 108.24 1cur n GLY 118 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 3.75 -0.18 1.61 1.02 -1.26 -1.87 119.74 122.81 1cur s LYS 119 Ca 0.00 0.99 -0.04 0.00 0.02 0.00 0.00 55.97 56.94 1cur s LYS 119 Cb 0.00 -2.10 0.06 0.00 -0.52 0.00 0.00 37.83 35.27 1cur s LYS 119 CO 0.00 -0.44 0.07 -0.06 -0.92 0.00 0.00 175.35 174.00 1cur s PHE 120 N -2.65 0.56 -0.22 3.18 0.08 0.70 -4.70 117.98 114.93 1cur s PHE 120 Ca 0.60 -0.56 -0.29 0.00 0.12 0.00 0.00 56.93 56.79 1cur s PHE 120 Cb -0.11 -0.84 -0.03 0.00 -0.57 0.00 0.00 43.02 41.46 1cur s PHE 120 CO 0.35 -0.56 1.71 0.20 -0.10 0.00 0.00 175.22 176.82 1cur s GLY 121 N 2.01 1.11 0.32 4.36 0.00 -1.23 -0.46 107.32 113.43 1cur s GLY 121 Ca 0.01 0.51 0.08 0.00 0.00 0.00 0.00 44.72 45.32 1cur s GLY 121 CO -0.09 3.14 -0.09 -2.52 0.00 0.00 0.00 173.10 173.54 1cur s TYR 122 N 5.66 2.22 -0.29 1.90 -0.85 0.42 -0.60 117.35 125.80 1cur s TYR 122 Ca 0.76 -0.57 -0.09 0.00 -0.52 0.00 0.00 57.07 56.65 1cur s TYR 122 Cb -0.26 -1.26 0.13 0.00 0.38 0.00 0.00 41.96 40.95 1cur s TYR 122 CO 0.31 0.47 0.63 0.99 -1.52 0.00 0.00 175.55 176.44 1cur s THR 123 N -2.76 -0.98 -1.16 -3.49 2.01 -1.18 -0.89 115.64 107.19 1cur s THR 123 Ca 0.31 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.27 1cur s THR 123 Cb 0.03 -0.98 0.25 0.00 0.01 0.00 0.00 72.50 71.81 1cur s THR 123 CO 0.15 0.00 1.72 0.47 -0.69 0.00 0.00 174.62 176.27 1cur n ASP 124 N 5.45 6.29 -4.62 3.53 8.00 -1.26 -0.54 116.55 133.39 1cur n ASP 124 Ca -0.11 -3.34 -0.43 0.00 0.71 0.00 0.00 54.79 51.63 1cur n ASP 124 Cb 0.49 -1.33 -0.02 0.00 -0.02 0.00 0.00 41.12 40.24 1cur n ASP 124 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1cur s PHE 125 N -1.90 2.18 -0.99 1.24 -0.71 -0.52 -4.75 117.98 112.52 1cur s PHE 125 Ca 0.36 0.61 -0.16 0.00 -1.04 0.00 0.00 56.93 56.70 1cur s PHE 125 Cb 0.09 -4.01 0.16 0.00 -1.21 0.00 0.00 43.02 38.06 1cur s PHE 125 CO 0.03 -2.69 1.15 0.99 -1.34 0.00 0.00 175.22 173.36 1cur s THR 126 N 5.25 5.00 0.07 -4.49 2.01 -1.26 -0.74 115.64 121.47 1cur s THR 126 Ca 0.69 -2.07 -0.12 0.00 0.31 0.00 0.00 61.69 60.50 1cur s THR 126 Cb -0.23 -4.76 -0.06 0.00 0.01 0.00 0.00 72.50 67.47 1cur s THR 126 CO 0.29 -1.45 0.43 0.86 -0.69 0.00 0.00 174.62 174.06 1cur s TRP 127 N 1.83 3.63 -0.33 4.92 -0.00 0.33 -4.89 118.94 124.42 1cur s TRP 127 Ca 0.33 0.89 -0.05 0.00 -0.00 0.00 0.00 56.10 57.27 1cur s TRP 127 Cb -0.05 -2.23 0.04 0.00 -0.00 0.00 0.00 33.47 31.23 1cur s TRP 127 CO -0.07 0.54 0.07 -1.01 -0.00 0.00 0.00 176.95 176.49 1cur s HIS 128 N -1.31 3.26 0.89 5.86 3.76 -1.26 -0.05 115.29 126.44 1cur s HIS 128 Ca 0.31 -1.59 -0.10 0.00 -0.15 0.00 0.00 55.06 53.53 1cur s HIS 128 Cb -0.15 -2.25 0.18 0.00 1.11 0.00 0.00 32.58 31.48 1cur s HIS 128 CO 0.17 -0.76 1.21 -1.25 -0.85 0.00 0.00 174.74 173.26 1cur s PRO 129 N 1.35 0.91 0.23 8.40 0.04 -1.26 -5.04 135.00 139.63 1cur s PRO 129 Ca -0.03 -0.75 0.09 0.00 0.04 0.00 0.00 61.00 60.35 1cur s PRO 129 Cb -0.20 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 1cur s PRO 129 CO 0.01 -2.13 -0.16 0.95 0.04 0.00 0.00 177.00 175.71 1cur s THR 130 N -3.63 2.00 0.75 1.26 -4.23 -1.26 -4.63 115.64 105.90 1cur s THR 130 Ca 0.72 -2.28 -0.13 0.00 -1.18 0.00 0.00 61.69 58.82 1cur s THR 130 Cb -0.04 -2.13 0.05 0.00 1.34 0.00 0.00 72.50 71.72 1cur s THR 130 CO 0.50 -0.53 1.13 0.00 -0.54 0.00 0.00 174.62 175.19 1cur s ALA 131 N -2.80 2.17 0.00 3.99 0.00 -1.26 -4.75 121.76 119.11 1cur s ALA 131 Ca 0.25 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1cur s ALA 131 Cb -0.02 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1cur s ALA 131 CO 0.10 -1.79 0.00 0.41 0.00 0.00 0.00 175.76 174.48 1cur n GLY 132 N -0.39 -0.48 3.53 0.00 0.00 0.62 -4.93 105.19 103.54 1cur n GLY 132 Ca 0.11 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.69 4.21 0.93 2.61 2.01 -1.26 -0.88 115.64 122.58 1cur s THR 133 Ca 0.00 -1.28 -0.15 0.00 0.31 0.00 0.00 61.69 60.57 1cur s THR 133 Cb 0.00 -5.01 0.17 0.00 0.01 0.00 0.00 72.50 67.67 1cur s THR 133 CO 0.00 -1.84 1.26 -0.31 -0.69 0.00 0.00 174.62 173.04 1cur s TYR 134 N 4.10 1.94 -0.03 4.92 1.51 0.96 -4.75 117.35 126.01 1cur s TYR 134 Ca 0.44 0.48 -0.16 0.00 -1.01 0.00 0.00 57.07 56.82 1cur s TYR 134 Cb -0.01 -3.86 0.03 0.00 -0.11 0.00 0.00 41.96 38.01 1cur s TYR 134 CO -0.06 -2.48 0.35 0.71 -1.11 0.00 0.00 175.55 172.96 1cur s TYR 135 N -3.71 -0.25 0.05 2.71 1.51 0.10 -0.28 117.35 117.48 1cur s TYR 135 Ca 0.70 0.41 0.05 0.00 -1.01 0.00 0.00 57.07 57.22 1cur s TYR 135 Cb -0.07 0.13 -0.04 0.00 -0.11 0.00 0.00 41.96 41.88 1cur s TYR 135 CO 0.52 -0.40 -0.09 1.52 -1.11 0.00 0.00 175.55 175.99 1cur s TYR 136 N -1.21 2.79 -0.02 2.71 1.13 0.13 -1.03 117.35 121.85 1cur s TYR 136 Ca -0.12 -0.11 -0.20 0.00 -1.41 0.00 0.00 57.07 55.22 1cur s TYR 136 Cb -0.04 -1.52 0.04 0.00 -1.10 0.00 0.00 41.96 39.33 1cur s TYR 136 CO 0.05 0.37 0.43 0.14 -2.51 0.00 0.00 175.55 174.03 1cur s VAL 137 N -1.07 0.04 -0.47 -3.49 -7.23 0.30 -1.80 120.40 106.68 1cur s VAL 137 Ca 0.19 -0.33 -0.18 0.00 -1.81 0.00 0.00 61.98 59.85 1cur s VAL 137 Cb -0.11 -0.77 0.05 0.00 0.56 0.00 0.00 36.38 36.11 1cur s VAL 137 CO 0.10 -0.18 0.53 0.00 -0.31 0.00 0.00 175.10 175.24 1cur n GLN 139 N 5.84 0.76 -3.41 0.00 1.13 -1.26 -2.80 117.38 117.63 1cur n GLN 139 Ca -0.07 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.60 1cur n GLN 139 Cb 0.46 -1.12 -0.06 0.00 0.11 0.00 0.00 30.24 29.63 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 0.35 5.02 0.01 5.09 1.01 -1.26 -4.76 121.20 126.65 1cur s ILE 140 Ca 0.00 0.94 -0.39 0.00 0.00 0.00 0.00 60.65 61.20 1cur s ILE 140 Cb 0.00 -3.77 -0.18 0.00 0.01 0.00 0.00 42.46 38.51 1cur s ILE 140 CO 0.00 0.51 1.24 -2.65 0.00 0.00 0.00 174.94 174.03 1cur n PRO 141 N 2.32 0.55 0.00 2.79 -0.02 -1.26 -1.00 135.00 138.38 1cur n PRO 141 Ca -0.11 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1cur n PRO 141 Cb 0.52 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 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 2.16 2.78 0.14 -1.23 0.00 0.48 -4.85 105.19 104.67 1cur n GLY 142 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.24 -0.66 1.61 3.86 -1.29 0.12 115.15 118.55 1cur h HIS 143 Ca 0.00 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.26 1cur h HIS 143 Cb 0.00 0.08 -0.06 0.00 1.06 0.00 0.00 27.41 28.49 1cur h HIS 143 CO 0.00 0.04 0.36 0.00 0.86 0.00 0.00 177.93 179.20 1cur h ALA 144 N 0.23 0.89 -0.68 2.45 0.00 -1.66 -0.02 119.26 120.47 1cur h ALA 144 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1cur h ALA 144 Cb 0.39 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1cur h ALA 144 CO 0.04 0.04 0.40 0.00 0.00 0.00 0.00 179.25 179.73 1cur h ALA 145 N 1.35 0.86 0.05 0.00 0.00 -1.63 -3.34 119.26 116.54 1cur h ALA 145 Ca 0.30 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1cur h ALA 145 Cb 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1cur h ALA 145 CO -0.19 0.34 -0.02 1.79 0.00 0.00 0.00 179.25 181.17 1cur h THR 146 N 0.92 0.01 0.00 0.00 1.35 -0.43 -3.45 112.91 111.31 1cur h THR 146 Ca 0.24 -0.96 -0.01 0.00 -0.55 0.00 0.00 66.41 65.13 1cur h THR 146 Cb -0.02 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.41 1cur h THR 146 CO -0.05 0.00 -0.02 0.61 -0.25 0.00 0.00 175.52 175.82 1cur n GLY 147 N 1.61 -0.50 2.69 5.82 0.00 -0.52 -5.03 105.19 109.26 1cur n GLY 147 Ca -0.01 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1cur n GLY 147 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1cur n MET 148 N -0.01 3.49 -3.16 1.61 2.00 -0.14 -2.10 117.12 118.82 1cur n MET 148 Ca -0.01 -4.65 -0.07 0.00 0.00 0.00 0.00 57.70 52.96 1cur n MET 148 Cb 0.31 -2.36 0.02 0.00 0.00 0.00 0.00 33.22 31.18 1cur n MET 148 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 175.97 177.94 1cur n PHE 149 N 0.88 -1.93 0.00 2.03 1.16 -1.26 -1.16 117.46 117.19 1cur n PHE 149 Ca 0.29 -1.47 0.00 0.00 -1.87 0.00 0.00 57.45 54.40 1cur n PHE 149 Cb 0.37 0.67 0.00 0.00 -1.61 0.00 0.00 39.48 38.91 1cur n PHE 149 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1cur n GLY 150 N -0.41 1.81 3.91 4.97 0.00 -0.74 -4.46 105.19 110.27 1cur n GLY 150 Ca -0.06 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 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 3.42 -0.41 1.61 1.02 -1.26 -0.69 119.74 121.43 1cur s LYS 151 Ca 0.00 -0.43 0.02 0.00 0.02 0.00 0.00 55.97 55.58 1cur s LYS 151 Cb 0.00 -3.04 0.12 0.00 -0.52 0.00 0.00 37.83 34.39 1cur s LYS 151 CO 0.00 0.62 0.18 0.42 -0.92 0.00 0.00 175.35 175.65 1cur s ILE 152 N -1.48 1.75 -0.86 2.17 1.01 0.61 -0.40 121.20 124.00 1cur s ILE 152 Ca 0.34 -2.46 -0.25 0.00 0.00 0.00 0.00 60.65 58.27 1cur s ILE 152 Cb -0.13 -2.25 0.04 0.00 0.01 0.00 0.00 42.46 40.13 1cur s ILE 152 CO 0.26 -0.77 1.35 -0.69 0.00 0.00 0.00 174.94 175.10 1cur s VAL 153 N 0.57 3.80 -0.93 2.92 1.01 0.87 -0.03 120.40 128.61 1cur s VAL 153 Ca 0.15 -0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.84 1cur s VAL 153 Cb -0.22 -4.98 0.09 0.00 0.00 0.00 0.00 36.38 31.28 1cur s VAL 153 CO -0.06 -1.89 1.23 -0.69 0.00 0.00 0.00 175.10 173.69 1cur s VAL 154 N 5.43 4.38 0.00 2.92 1.01 -0.06 -0.73 120.40 133.36 1cur s VAL 154 Ca 0.40 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1cur s VAL 154 Cb -0.05 -4.87 0.00 0.00 0.00 0.00 0.00 36.38 31.46 1cur s VAL 154 CO 0.05 -1.67 0.00 0.29 0.00 0.00 0.00 175.10 173.77