#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 -0.34 2.61 1.35 -2.01 -3.46 112.91 111.06 1cur h THR 2 Ca 0.00 -0.10 -0.62 0.00 -0.55 0.00 0.00 66.41 65.14 1cur h THR 2 Cb 0.00 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.35 1cur h THR 2 CO 0.00 0.00 -0.34 -0.76 -0.25 0.00 0.00 175.52 174.17 1cur s LEU 3 N -6.87 2.50 0.01 3.87 1.02 -1.26 -5.06 118.68 112.88 1cur s LEU 3 Ca -0.08 -1.41 -0.30 0.00 0.02 0.00 0.00 54.13 52.36 1cur s LEU 3 Cb 0.01 -0.99 -0.06 0.00 0.02 0.00 0.00 46.19 45.17 1cur s LEU 3 CO 0.24 -1.11 1.49 -0.62 0.02 0.00 0.00 176.35 176.37 1cur s ASP 4 N -4.21 6.77 -0.26 2.29 2.15 0.78 -4.67 116.67 119.52 1cur s ASP 4 Ca 0.24 2.22 0.09 0.00 0.43 0.00 0.00 52.55 55.52 1cur s ASP 4 Cb -0.02 -2.56 0.45 0.00 -0.30 0.00 0.00 42.92 40.49 1cur s ASP 4 CO 0.15 -0.79 1.28 0.35 -0.17 0.00 0.00 175.17 175.99 1cur n THR 5 N 4.79 2.40 -1.32 1.71 -2.24 -1.26 -3.22 114.28 115.14 1cur n THR 5 Ca 0.14 -3.41 -0.38 0.00 -2.27 0.00 0.00 64.05 58.13 1cur n THR 5 Cb 0.43 -0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 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 -1.01 4.03 -2.71 4.28 -1.04 -1.26 -4.92 114.28 111.65 1cur n THR 6 Ca 0.29 -2.54 -0.41 0.00 -2.04 0.00 0.00 64.05 59.36 1cur n THR 6 Cb 0.83 -2.58 -0.05 0.00 -1.82 0.00 0.00 70.33 66.71 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 2.44 3.83 0.26 -1.42 0.23 -1.26 -3.58 118.94 119.44 1cur s TRP 7 Ca 0.64 1.81 -0.10 0.00 -2.03 0.00 0.00 56.10 56.42 1cur s TRP 7 Cb 0.17 -3.06 -0.01 0.00 0.03 0.00 0.00 33.47 30.60 1cur s TRP 7 CO -0.06 0.18 0.44 0.15 0.96 0.00 0.00 176.95 178.62 1cur s LYS 8 N -0.35 1.57 -0.03 4.98 1.02 -0.04 -5.00 119.74 121.89 1cur s LYS 8 Ca 0.46 -1.38 -0.00 0.00 0.02 0.00 0.00 55.97 55.07 1cur s LYS 8 Cb -0.25 0.44 0.03 0.00 -0.52 0.00 0.00 37.83 37.54 1cur s LYS 8 CO 0.31 -0.64 0.03 -1.21 -0.92 0.00 0.00 175.35 172.92 1cur s GLU 9 N -3.86 0.01 0.00 1.68 8.01 -1.26 -0.43 118.70 122.85 1cur s GLU 9 Ca 0.26 0.21 0.00 0.00 0.01 0.00 0.00 54.97 55.45 1cur s GLU 9 Cb 0.00 -0.34 0.00 0.00 -4.31 0.00 0.00 34.13 29.48 1cur s GLU 9 CO 0.11 -0.20 0.00 0.00 0.01 0.00 0.00 175.26 175.18 1cur n ALA 10 N 4.41 0.00 -2.28 5.21 0.00 0.76 -4.81 120.51 123.80 1cur n ALA 10 Ca -0.23 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.06 1cur n ALA 10 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 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 2.69 0.32 0.21 0.00 -4.23 -1.26 -0.34 115.64 113.03 1cur s THR 11 Ca 0.00 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.32 1cur s THR 11 Cb 0.00 -2.57 0.18 0.00 1.34 0.00 0.00 72.50 71.45 1cur s THR 11 CO 0.00 0.00 1.48 -0.11 -0.54 0.00 0.00 174.62 175.45 1cur n LEU 12 N -0.42 -0.69 -0.11 4.79 0.00 -1.13 -0.57 117.00 118.87 1cur n LEU 12 Ca 0.01 1.67 0.14 0.00 0.00 0.00 0.00 56.01 57.83 1cur n LEU 12 Cb 0.66 -0.35 0.52 0.00 0.00 0.00 0.00 43.42 44.24 1cur n LEU 12 CO 0.35 -1.47 1.20 1.55 0.00 0.00 0.00 177.39 179.01 1cur h PRO 13 N 0.00 0.36 0.00 1.96 0.13 -1.98 0.12 132.00 132.59 1cur h PRO 13 Ca 0.30 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 65.32 1cur h PRO 13 Cb 0.54 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 1cur h PRO 13 CO -0.94 0.24 -0.41 1.96 -0.23 0.00 0.00 178.00 178.63 1cur h GLN 14 N 0.37 0.00 0.02 0.86 7.50 -1.25 0.12 115.11 122.73 1cur h GLN 14 Ca 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.46 1cur h GLN 14 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.23 1cur h GLN 14 CO -0.09 0.41 -0.01 0.28 -1.50 0.00 0.00 178.83 177.92 1cur h VAL 15 N 0.00 1.06 -0.33 -0.54 2.07 -0.67 0.92 116.25 118.76 1cur h VAL 15 Ca -0.00 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.33 1cur h VAL 15 Cb 0.75 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 1cur h VAL 15 CO 0.05 0.06 -0.02 0.11 0.02 0.00 0.00 177.57 177.80 1cur h LYS 16 N -0.13 0.07 0.06 1.57 1.57 -1.09 0.10 116.57 118.71 1cur h LYS 16 Ca -0.00 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1cur h LYS 16 Cb 0.12 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 1cur h LYS 16 CO 0.00 0.04 -0.46 0.00 -0.57 0.00 0.00 179.45 178.47 1cur h ALA 17 N 1.30 -0.91 -0.56 3.86 0.00 -0.73 -1.88 119.26 120.33 1cur h ALA 17 Ca 0.16 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1cur h ALA 17 Cb 0.22 0.86 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1cur h ALA 17 CO -0.29 -1.04 0.23 0.52 0.00 0.00 0.00 179.25 178.68 1cur h MET 18 N -0.61 0.42 -0.94 0.00 2.86 -0.49 0.19 114.93 116.36 1cur h MET 18 Ca 0.00 -0.03 0.16 0.00 -2.06 0.00 0.00 59.70 57.77 1cur h MET 18 Cb 0.63 -0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.12 1cur h MET 18 CO -0.27 0.28 0.60 -0.07 1.06 0.00 0.00 176.91 178.50 1cur h LEU 19 N 0.43 0.70 -0.11 1.22 3.38 -0.53 -0.51 115.31 119.90 1cur h LEU 19 Ca 0.27 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 1cur h LEU 19 Cb 0.28 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1cur h LEU 19 CO -0.25 0.33 -0.27 -0.33 0.09 0.00 0.00 178.44 178.01 1cur h GLU 20 N 0.73 0.37 -3.22 1.13 4.39 -0.26 -3.35 114.58 114.36 1cur h GLU 20 Ca 0.49 -0.26 -0.68 0.00 0.34 0.00 0.00 59.36 59.25 1cur h GLU 20 Cb 0.78 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.47 1cur h GLU 20 CO -0.25 0.87 3.66 1.63 -1.16 0.00 0.00 179.01 183.75 1cur n LYS 21 N -4.45 3.53 -4.18 2.33 5.02 -0.12 -4.83 118.16 115.46 1cur n LYS 21 Ca -0.07 -2.33 -0.18 0.00 -2.02 0.00 0.00 58.31 53.70 1cur n LYS 21 Cb 0.46 -2.91 -0.15 0.00 -0.02 0.00 0.00 35.03 32.41 1cur n LYS 21 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1cur s ASP 22 N 2.35 0.81 -0.27 4.39 -1.08 -1.23 -4.87 116.67 116.77 1cur s ASP 22 Ca 0.64 -0.12 0.08 0.00 -0.52 0.00 0.00 52.55 52.64 1cur s ASP 22 Cb 0.17 -0.26 0.63 0.00 -1.46 0.00 0.00 42.92 42.00 1cur s ASP 22 CO -0.07 0.01 1.63 0.35 0.52 0.00 0.00 175.17 177.61 1cur n THR 23 N 3.51 2.51 -3.17 1.71 -2.24 -1.25 -4.87 114.28 110.48 1cur n THR 23 Ca -0.20 -1.33 -0.45 0.00 -2.27 0.00 0.00 64.05 59.80 1cur n THR 23 Cb 0.54 -0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.74 1.86 0.63 3.38 0.00 -1.26 -2.45 107.32 108.73 1cur s GLY 24 Ca 0.46 -2.32 -0.12 0.00 0.00 0.00 0.00 44.72 42.74 1cur s GLY 24 CO 0.12 1.47 1.03 0.54 0.00 0.00 0.00 173.10 176.26 1cur s LYS 25 N 2.38 3.46 -0.79 2.90 1.02 0.11 -4.76 119.74 124.07 1cur s LYS 25 Ca 0.09 0.84 -0.18 0.00 0.02 0.00 0.00 55.97 56.75 1cur s LYS 25 Cb -0.26 -2.06 0.14 0.00 -0.52 0.00 0.00 37.83 35.13 1cur s LYS 25 CO 0.05 -0.68 0.91 0.08 -0.92 0.00 0.00 175.35 174.79 1cur s VAL 26 N -3.05 4.95 -1.29 3.17 1.01 -1.26 -0.40 120.40 123.52 1cur s VAL 26 Ca 0.57 -1.56 -0.16 0.00 0.00 0.00 0.00 61.98 60.82 1cur s VAL 26 Cb -0.12 -4.61 -0.01 0.00 0.00 0.00 0.00 36.38 31.64 1cur s VAL 26 CO 0.51 -1.28 2.14 -1.54 0.00 0.00 0.00 175.10 174.93 1cur n SER 27 N 5.91 3.59 0.00 3.32 3.41 -0.03 -4.85 113.62 124.98 1cur n SER 27 Ca 0.10 -2.80 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 1cur n SER 27 Cb 0.46 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.87 1cur n SER 27 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cur n GLY 28 N 4.26 0.34 0.12 5.00 0.00 -1.26 -1.04 105.19 112.61 1cur n GLY 28 Ca 0.51 0.64 -0.18 0.00 0.00 0.00 0.00 46.02 46.99 1cur n GLY 28 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1cur h ASP 29 N 0.00 0.37 -3.13 1.61 3.04 -2.01 -3.48 116.42 112.82 1cur h ASP 29 Ca 0.00 -0.63 -0.46 0.00 -3.24 0.00 0.00 57.03 52.70 1cur h ASP 29 Cb 0.00 -0.12 0.05 0.00 -1.04 0.00 0.00 39.33 38.22 1cur h ASP 29 CO 0.00 1.54 0.05 -0.89 -2.04 0.00 0.00 179.24 177.90 1cur s THR 30 N -2.59 3.35 -0.00 1.15 2.01 -0.21 -4.69 115.64 114.66 1cur s THR 30 Ca -0.13 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 61.56 1cur s THR 30 Cb 0.07 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 1cur s THR 30 CO 0.83 -0.26 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.76 1cur s VAL 31 N -2.84 3.78 -0.11 3.82 1.01 -0.47 -0.85 120.40 124.74 1cur s VAL 31 Ca 0.54 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1cur s VAL 31 Cb -0.10 -2.65 0.04 0.00 0.00 0.00 0.00 36.38 33.66 1cur s VAL 31 CO 0.41 0.40 -0.00 -0.89 0.00 0.00 0.00 175.10 175.02 1cur s THR 32 N -1.01 0.55 0.67 3.92 2.01 0.46 -0.63 115.64 121.60 1cur s THR 32 Ca 0.17 -0.14 -0.11 0.00 0.31 0.00 0.00 61.69 61.92 1cur s THR 32 Cb -0.11 -0.77 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 1cur s THR 32 CO 0.08 0.16 1.06 -0.31 -0.69 0.00 0.00 174.62 174.92 1cur s TYR 33 N 1.89 3.44 0.12 4.92 1.51 0.20 0.08 117.35 129.51 1cur s TYR 33 Ca 0.03 1.18 -0.17 0.00 -1.01 0.00 0.00 57.07 57.10 1cur s TYR 33 Cb -0.14 -2.90 0.04 0.00 -0.11 0.00 0.00 41.96 38.85 1cur s TYR 33 CO -0.06 -0.98 0.42 -1.12 -1.11 0.00 0.00 175.55 172.70 1cur s SER 34 N -4.24 -0.27 0.02 2.29 0.01 -1.02 -4.45 113.70 106.05 1cur s SER 34 Ca 0.57 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.57 1cur s SER 34 Cb -0.11 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1cur s SER 34 CO 0.53 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1cur n GLY 35 N -0.18 -2.29 0.21 3.44 0.00 -1.26 -4.59 105.19 100.51 1cur n GLY 35 Ca -0.16 -1.46 0.15 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.06 0.00 -4.26 1.61 1.57 -1.94 -3.37 116.57 110.13 1cur h LYS 36 Ca -0.01 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 58.02 1cur h LYS 36 Cb 0.06 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.14 1cur h LYS 36 CO 0.00 0.00 0.51 0.95 -0.57 0.00 0.00 179.45 180.34 1cur s THR 37 N -3.43 5.34 -1.32 -0.16 -4.23 -1.26 -0.44 115.64 110.14 1cur s THR 37 Ca 0.04 -2.35 -0.16 0.00 -1.18 0.00 0.00 61.69 58.04 1cur s THR 37 Cb 0.08 -4.63 0.08 0.00 1.34 0.00 0.00 72.50 69.38 1cur s THR 37 CO 0.55 -1.26 1.79 0.52 -0.54 0.00 0.00 174.62 175.68 1cur n VAL 38 N 4.33 3.92 -2.81 2.29 0.31 -0.17 -4.74 118.33 121.46 1cur n VAL 38 Ca 0.21 -4.01 -0.43 0.00 -0.01 0.00 0.00 64.34 60.10 1cur n VAL 38 Cb 0.46 -2.42 -0.02 0.00 -0.91 0.00 0.00 33.84 30.95 1cur n VAL 38 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1cur s HIS 39 N 3.47 3.00 -0.85 3.52 2.46 -1.26 -0.66 115.29 124.97 1cur s HIS 39 Ca 0.50 -1.39 -0.25 0.00 0.47 0.00 0.00 55.06 54.40 1cur s HIS 39 Cb 0.05 -4.43 0.04 0.00 -0.13 0.00 0.00 32.58 28.10 1cur s HIS 39 CO 0.03 -1.62 1.37 0.08 -2.47 0.00 0.00 174.74 172.13 1cur s VAL 40 N 3.23 3.79 -0.46 0.89 1.01 0.91 -3.81 120.40 125.96 1cur s VAL 40 Ca 0.39 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.06 1cur s VAL 40 Cb -0.03 -4.95 0.03 0.00 0.00 0.00 0.00 36.38 31.44 1cur s VAL 40 CO -0.07 -1.86 0.86 -0.69 0.00 0.00 0.00 175.10 173.34 1cur s VAL 41 N 5.56 4.55 0.25 2.92 1.01 -1.26 -0.41 120.40 133.02 1cur s VAL 41 Ca 0.40 0.59 0.06 0.00 0.00 0.00 0.00 61.98 63.03 1cur s VAL 41 Cb -0.05 -4.38 -0.05 0.00 0.00 0.00 0.00 36.38 31.89 1cur s VAL 41 CO 0.05 -0.78 -0.05 0.00 0.00 0.00 0.00 175.10 174.31 1cur s ALA 42 N 3.54 2.09 0.20 5.51 0.00 -0.01 -3.53 121.76 129.56 1cur s ALA 42 Ca 0.34 -1.81 -0.09 0.00 0.00 0.00 0.00 51.96 50.40 1cur s ALA 42 Cb -0.11 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 1cur s ALA 42 CO 0.25 -0.12 0.32 0.00 0.00 0.00 0.00 175.76 176.21 1cur s ALA 43 N -3.15 0.10 -0.14 0.00 0.00 0.49 0.14 121.76 119.20 1cur s ALA 43 Ca 0.28 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 1cur s ALA 43 Cb 0.04 1.01 0.05 0.00 0.00 0.00 0.00 23.12 24.21 1cur s ALA 43 CO 0.10 -0.70 0.04 0.00 0.00 0.00 0.00 175.76 175.19 1cur s ALA 44 N -4.01 0.75 -0.62 0.00 0.00 -1.18 -0.33 121.76 116.36 1cur s ALA 44 Ca 0.22 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.78 1cur s ALA 44 Cb 0.03 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.18 1cur s ALA 44 CO 0.05 -0.89 0.44 0.28 0.00 0.00 0.00 175.76 175.63 1cur n VAL 45 N 5.14 -2.26 -2.61 0.00 0.31 -1.26 -3.51 118.33 114.13 1cur n VAL 45 Ca -0.08 -0.05 -0.37 0.00 -0.01 0.00 0.00 64.34 63.84 1cur n VAL 45 Cb 0.49 -2.01 -0.05 0.00 -0.91 0.00 0.00 33.84 31.36 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 -4.41 4.24 -0.51 7.52 1.43 -1.26 -3.98 118.68 121.71 1cur s LEU 46 Ca 0.04 1.99 -0.28 0.00 -1.03 0.00 0.00 54.13 54.85 1cur s LEU 46 Cb -0.02 -4.09 -0.09 0.00 0.03 0.00 0.00 46.19 42.02 1cur s LEU 46 CO 0.65 -0.33 2.41 -0.81 0.23 0.00 0.00 176.35 178.50 1cur n PRO 47 N 0.23 1.04 0.00 1.29 -0.04 -1.26 -0.31 135.00 135.94 1cur n PRO 47 Ca 0.03 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1cur n PRO 47 Cb 0.49 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 1cur n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cur n GLY 48 N 6.10 4.30 3.70 0.55 0.00 -1.26 -5.10 105.19 113.49 1cur n GLY 48 Ca 0.40 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 3.49 0.69 1.61 0.40 0.57 -5.03 117.98 119.70 1cur s PHE 49 Ca 0.00 1.52 -0.11 0.00 -0.60 0.00 0.00 56.93 57.74 1cur s PHE 49 Cb 0.00 -3.24 0.00 0.00 0.51 0.00 0.00 43.02 40.29 1cur s PHE 49 CO 0.00 -0.49 1.06 -1.25 0.70 0.00 0.00 175.22 175.23 1cur s PRO 50 N 1.64 3.01 0.92 0.24 0.04 -1.26 -4.34 135.00 135.25 1cur s PRO 50 Ca 0.52 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 1cur s PRO 50 Cb -0.22 -2.00 0.14 0.00 0.04 0.00 0.00 34.50 32.46 1cur s PRO 50 CO 0.23 -1.03 1.09 -0.06 0.04 0.00 0.00 177.00 177.27 1cur s PHE 51 N -3.09 2.14 -0.86 0.56 0.08 -1.26 -4.38 117.98 111.17 1cur s PHE 51 Ca 0.58 1.32 0.09 0.00 0.12 0.00 0.00 56.93 59.03 1cur s PHE 51 Cb -0.13 -3.17 0.20 0.00 -0.57 0.00 0.00 43.02 39.35 1cur s PHE 51 CO 0.55 -2.58 1.10 -0.35 -0.10 0.00 0.00 175.22 173.83 1cur n PRO 52 N -4.02 2.19 -2.65 0.24 -0.04 -1.26 -5.13 135.00 124.33 1cur n PRO 52 Ca 0.07 -1.71 -0.31 0.00 -0.04 0.00 0.00 63.50 61.51 1cur n PRO 52 Cb 0.55 -1.21 -0.03 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.94 6.55 0.22 3.54 1.04 -1.26 -2.62 113.70 120.23 1cur s SER 53 Ca 0.17 1.30 -0.30 0.00 0.48 0.00 0.00 55.95 57.60 1cur s SER 53 Cb 0.09 -2.40 -0.09 0.00 0.10 0.00 0.00 66.02 63.73 1cur s SER 53 CO 0.13 -0.49 0.96 -0.36 0.98 0.00 0.00 173.24 174.46 1cur s PHE 54 N -2.50 3.92 -0.05 5.02 0.08 -1.26 -4.23 117.98 118.96 1cur s PHE 54 Ca 0.54 1.87 -0.21 0.00 0.12 0.00 0.00 56.93 59.26 1cur s PHE 54 Cb -0.10 -3.03 -0.05 0.00 -0.57 0.00 0.00 43.02 39.28 1cur s PHE 54 CO 0.32 0.30 0.60 -1.21 -0.10 0.00 0.00 175.22 175.13 1cur s GLU 55 N -1.00 4.35 -0.57 0.44 2.02 0.55 -1.52 118.70 122.97 1cur s GLU 55 Ca 0.42 0.71 0.04 0.00 0.02 0.00 0.00 54.97 56.16 1cur s GLU 55 Cb -0.26 -3.39 0.16 0.00 0.10 0.00 0.00 34.13 30.73 1cur s GLU 55 CO 0.33 0.23 0.38 0.08 0.02 0.00 0.00 175.26 176.30 1cur s VAL 56 N 0.28 2.04 0.00 2.63 1.01 0.59 -0.38 120.40 126.58 1cur s VAL 56 Ca 0.32 -3.48 0.00 0.00 0.00 0.00 0.00 61.98 58.82 1cur s VAL 56 Cb -0.17 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1cur s VAL 56 CO 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 175.10 174.26 1cur n HIS 57 N 2.62 0.00 0.10 5.22 1.44 -1.23 -0.69 115.22 122.68 1cur n HIS 57 Ca 0.17 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.91 1cur n HIS 57 Cb 0.37 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.47 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 -3.71 4.39 1.82 -1.93 -3.48 116.42 113.51 1cur h ASP 58 Ca 0.00 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.35 1cur h ASP 58 Cb 0.00 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 39.95 1cur h ASP 58 CO 0.00 0.48 -0.24 0.29 -1.61 0.00 0.00 179.24 178.16 1cur n LYS 59 N -3.06 0.74 -3.75 0.28 4.76 0.14 -5.12 118.16 112.14 1cur n LYS 59 Ca -0.02 -1.78 -0.30 0.00 -2.87 0.00 0.00 58.31 53.34 1cur n LYS 59 Cb 0.75 0.98 -0.14 0.00 -1.84 0.00 0.00 35.03 34.79 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 -2.80 1.25 -0.28 1.97 1.02 -1.26 -0.30 119.74 119.34 1cur s LYS 60 Ca 0.11 -1.89 -0.00 0.00 0.02 0.00 0.00 55.97 54.21 1cur s LYS 60 Cb 0.01 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 1cur s LYS 60 CO 0.08 -1.12 0.20 0.09 -0.92 0.00 0.00 175.35 173.68 1cur n ASN 61 N 3.77 -1.60 0.20 2.83 3.02 -0.58 -4.84 115.26 118.05 1cur n ASN 61 Ca 0.06 -0.34 -0.14 0.00 -0.03 0.00 0.00 54.58 54.14 1cur n ASN 61 Cb 0.36 -0.53 -0.08 0.00 -0.61 0.00 0.00 39.78 38.92 1cur n ASN 61 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1cur h PRO 62 N 0.57 -0.50 0.00 3.52 0.13 -1.91 -3.47 132.00 130.35 1cur h PRO 62 Ca -0.22 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1cur h PRO 62 Cb 0.47 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1cur h PRO 62 CO 0.13 -0.19 0.00 2.41 -0.23 0.00 0.00 178.00 180.12 1cur n THR 63 N -5.19 0.00 -4.51 1.56 -1.04 -1.26 -4.79 114.28 99.05 1cur n THR 63 Ca -0.10 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.58 1cur n THR 63 Cb 0.28 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.64 1cur n THR 63 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1cur s LEU 64 N 0.00 2.39 -0.12 -4.42 1.02 0.23 -1.37 118.68 116.40 1cur s LEU 64 Ca 0.00 -0.51 -0.10 0.00 0.02 0.00 0.00 54.13 53.55 1cur s LEU 64 Cb 0.00 -1.54 -0.05 0.00 0.02 0.00 0.00 46.19 44.63 1cur s LEU 64 CO 0.00 0.07 0.20 -1.61 0.02 0.00 0.00 176.35 175.04 1cur s GLU 65 N 0.87 3.75 -0.02 1.70 0.41 0.20 -0.75 118.70 124.86 1cur s GLU 65 Ca -0.05 -0.03 0.02 0.00 -0.41 0.00 0.00 54.97 54.51 1cur s GLU 65 Cb -0.15 -3.26 0.00 0.00 -1.78 0.00 0.00 34.13 28.94 1cur s GLU 65 CO -0.01 0.62 -0.07 0.42 -0.49 0.00 0.00 175.26 175.73 1cur s ILE 66 N -0.62 0.59 -0.38 -1.63 1.01 0.74 -0.63 121.20 120.28 1cur s ILE 66 Ca 0.15 -0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.26 1cur s ILE 66 Cb -0.13 -0.54 0.01 0.00 0.01 0.00 0.00 42.46 41.81 1cur s ILE 66 CO 0.05 0.19 1.31 -2.16 0.00 0.00 0.00 174.94 174.33 1cur s PRO 67 N 0.24 3.74 0.32 2.79 0.04 -1.26 -0.33 135.00 140.54 1cur s PRO 67 Ca -0.03 0.98 0.10 0.00 0.04 0.00 0.00 61.00 62.09 1cur s PRO 67 Cb -0.08 -3.94 0.95 0.00 0.04 0.00 0.00 34.50 31.48 1cur s PRO 67 CO 0.00 -1.35 1.67 0.00 0.04 0.00 0.00 177.00 177.36 1cur h ALA 68 N 9.82 1.73 0.00 8.56 0.00 -1.16 -0.92 119.26 137.29 1cur h ALA 68 Ca -0.26 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1cur h ALA 68 Cb 1.09 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1cur h ALA 68 CO 1.07 -0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1cur n GLY 69 N -1.32 -1.01 3.92 0.00 0.00 -1.26 -4.74 105.19 100.78 1cur n GLY 69 Ca 0.28 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 1cur n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cur s ALA 70 N -2.75 3.28 -0.17 4.61 0.00 -0.35 -4.99 121.76 121.38 1cur s ALA 70 Ca 0.14 -0.69 -0.16 0.00 0.00 0.00 0.00 51.96 51.24 1cur s ALA 70 Cb 0.13 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 1cur s ALA 70 CO 0.31 -0.85 0.41 0.99 0.00 0.00 0.00 175.76 176.63 1cur s THR 71 N -3.02 5.21 -0.09 0.00 2.01 0.42 -4.55 115.64 115.61 1cur s THR 71 Ca 0.54 0.77 -0.17 0.00 0.31 0.00 0.00 61.69 63.14 1cur s THR 71 Cb -0.11 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 1cur s THR 71 CO 0.45 0.29 0.46 -0.69 -0.69 0.00 0.00 174.62 174.45 1cur s VAL 72 N 0.99 5.14 -0.24 3.82 1.01 0.30 -1.00 120.40 130.41 1cur s VAL 72 Ca 0.21 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1cur s VAL 72 Cb -0.15 -3.80 0.07 0.00 0.00 0.00 0.00 36.38 32.51 1cur s VAL 72 CO 0.08 0.39 -0.01 -1.81 0.00 0.00 0.00 175.10 173.74 1cur s ASP 73 N 0.23 3.76 -0.34 3.32 1.11 0.16 -0.29 116.67 124.62 1cur s ASP 73 Ca 0.25 -1.23 -0.22 0.00 0.18 0.00 0.00 52.55 51.53 1cur s ASP 73 Cb -0.16 -1.06 0.00 0.00 1.07 0.00 0.00 42.92 42.78 1cur s ASP 73 CO 0.11 -0.28 0.74 -0.69 1.18 0.00 0.00 175.17 176.23 1cur s VAL 74 N 1.48 4.79 -0.56 -1.27 1.01 0.51 -0.06 120.40 126.30 1cur s VAL 74 Ca -0.02 0.90 -0.08 0.00 0.00 0.00 0.00 61.98 62.78 1cur s VAL 74 Cb -0.18 -4.15 0.15 0.00 0.00 0.00 0.00 36.38 32.19 1cur s VAL 74 CO -0.09 -0.34 0.42 -0.89 0.00 0.00 0.00 175.10 174.20 1cur s THR 75 N 2.95 4.23 0.47 3.92 2.01 0.45 -0.93 115.64 128.75 1cur s THR 75 Ca 0.30 -2.22 -0.19 0.00 0.31 0.00 0.00 61.69 59.89 1cur s THR 75 Cb -0.14 -3.75 -0.09 0.00 0.01 0.00 0.00 72.50 68.53 1cur s THR 75 CO 0.15 -0.84 0.98 -0.36 -0.69 0.00 0.00 174.62 173.87 1cur s PHE 76 N 0.79 3.28 -0.54 4.92 0.08 -0.03 -0.83 117.98 125.64 1cur s PHE 76 Ca 0.11 1.56 0.07 0.00 0.12 0.00 0.00 56.93 58.78 1cur s PHE 76 Cb -0.22 -2.88 0.25 0.00 -0.57 0.00 0.00 43.02 39.60 1cur s PHE 76 CO -0.03 -0.37 0.67 -0.89 -0.10 0.00 0.00 175.22 174.50 1cur n ILE 77 N -1.05 1.21 -2.65 0.64 -0.00 0.12 -2.06 119.36 115.57 1cur n ILE 77 Ca 0.07 -4.77 -0.43 0.00 -0.00 0.00 0.00 62.75 57.62 1cur n ILE 77 Cb 0.54 -2.00 -0.02 0.00 -0.00 0.00 0.00 39.64 38.15 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 -2.02 6.75 -0.30 4.38 2.47 -0.88 -3.10 114.94 122.24 1cur s ASN 78 Ca 0.38 0.70 0.19 0.00 0.42 0.00 0.00 52.86 54.55 1cur s ASN 78 Cb 0.16 -2.53 0.48 0.00 -1.45 0.00 0.00 41.25 37.91 1cur s ASN 78 CO -0.05 -1.05 1.04 0.41 -3.72 0.00 0.00 177.10 173.72 1cur n THR 79 N 6.35 1.26 -2.55 -5.21 -1.04 -1.25 -3.75 114.28 108.08 1cur n THR 79 Ca 0.11 -3.16 -0.43 0.00 -2.04 0.00 0.00 64.05 58.54 1cur n THR 79 Cb 0.48 0.74 -0.02 0.00 -1.82 0.00 0.00 70.33 69.71 1cur n THR 79 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1cur s ASN 80 N -3.45 6.73 -0.94 8.00 3.84 -1.23 -4.42 114.94 123.48 1cur s ASN 80 Ca 0.29 0.90 -0.20 0.00 0.21 0.00 0.00 52.86 54.07 1cur s ASN 80 Cb 0.40 -2.54 -0.11 0.00 -0.55 0.00 0.00 41.25 38.44 1cur s ASN 80 CO -0.01 -1.08 2.00 0.29 -2.79 0.00 0.00 177.10 175.51 1cur n LYS 81 N 7.36 1.84 0.00 0.43 5.02 -1.26 -3.40 118.16 128.15 1cur n LYS 81 Ca 0.13 -2.02 0.00 0.00 -2.02 0.00 0.00 58.31 54.40 1cur n LYS 81 Cb 0.48 -3.00 0.00 0.00 -0.02 0.00 0.00 35.03 32.49 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 4.41 -1.67 3.64 0.72 0.00 -1.26 -5.12 105.19 105.91 1cur n GLY 82 Ca 0.50 0.59 -0.38 0.00 0.00 0.00 0.00 46.02 46.73 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 3.30 -0.80 1.61 0.08 -1.22 -4.99 117.98 115.96 1cur s PHE 83 Ca 0.00 0.40 -0.22 0.00 0.12 0.00 0.00 56.93 57.23 1cur s PHE 83 Cb 0.00 -2.47 -0.16 0.00 -0.57 0.00 0.00 43.02 39.82 1cur s PHE 83 CO 0.00 -0.09 1.92 0.41 -0.10 0.00 0.00 175.22 177.36 1cur n GLY 84 N 4.41 2.37 3.70 4.36 0.00 -1.26 -4.55 105.19 114.22 1cur n GLY 84 Ca -0.10 -1.21 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 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 8.19 2.03 -4.07 1.61 -0.00 -1.26 -3.67 115.22 118.06 1cur n HIS 85 Ca 0.49 0.48 -0.22 0.00 -0.00 0.00 0.00 57.72 58.48 1cur n HIS 85 Cb 0.41 -2.35 -0.05 0.00 -0.00 0.00 0.00 29.99 28.00 1cur n HIS 85 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1cur s SER 86 N -0.66 5.35 -0.30 0.41 1.04 -1.26 -1.23 113.70 117.05 1cur s SER 86 Ca 0.64 -0.36 -0.00 0.00 0.48 0.00 0.00 55.95 56.71 1cur s SER 86 Cb -0.48 -1.24 0.10 0.00 0.10 0.00 0.00 66.02 64.49 1cur s SER 86 CO 0.56 -0.11 0.08 0.12 0.98 0.00 0.00 173.24 174.86 1cur s PHE 87 N -2.20 2.03 -0.23 5.02 2.19 -1.25 -3.99 117.98 119.54 1cur s PHE 87 Ca 0.35 -1.89 0.01 0.00 0.33 0.00 0.00 56.93 55.73 1cur s PHE 87 Cb -0.07 -1.86 0.04 0.00 -1.31 0.00 0.00 43.02 39.82 1cur s PHE 87 CO 0.25 -0.87 -0.13 -0.51 1.83 0.00 0.00 175.22 175.79 1cur s ASP 88 N 1.51 3.99 -0.21 6.13 -0.00 0.57 -0.59 116.67 128.07 1cur s ASP 88 Ca 0.09 -1.04 -0.15 0.00 -0.00 0.00 0.00 52.55 51.45 1cur s ASP 88 Cb -0.18 -1.55 -0.04 0.00 -0.00 0.00 0.00 42.92 41.15 1cur s ASP 88 CO -0.21 -0.11 0.36 -0.63 -0.00 0.00 0.00 175.17 174.58 1cur s ILE 89 N 1.21 5.22 0.00 0.77 1.01 0.93 -0.82 121.20 129.53 1cur s ILE 89 Ca -0.02 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.26 1cur s ILE 89 Cb -0.17 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.61 1cur s ILE 89 CO -0.08 0.27 0.00 1.07 0.00 0.00 0.00 174.94 176.20 1cur n THR 90 N 4.32 0.00 0.00 2.92 5.66 0.07 -0.94 114.28 126.31 1cur n THR 90 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1cur n THR 90 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 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 0.00 0.00 1.09 5.02 -1.26 -0.54 118.16 122.48 1cur n LYS 91 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1cur n LYS 91 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1cur n LYS 91 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1cur n LYS 92 N 0.00 0.00 -0.31 1.97 5.02 -1.26 -4.14 118.16 119.44 1cur n LYS 92 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1cur n LYS 92 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1cur n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cur n GLY 93 N 0.00 -2.07 3.79 0.72 0.00 -1.26 -4.91 105.19 101.46 1cur n GLY 93 Ca 0.00 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 1cur n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cur s PRO 94 N -2.24 4.07 0.19 1.61 0.04 -1.26 -3.60 135.00 133.80 1cur s PRO 94 Ca 0.00 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 1cur s PRO 94 Cb 0.00 -2.43 -0.08 0.00 0.04 0.00 0.00 34.50 32.04 1cur s PRO 94 CO 0.00 -0.22 1.05 -1.25 0.04 0.00 0.00 177.00 176.62 1cur s PRO 95 N -2.69 4.66 0.43 0.56 0.04 -1.26 -5.15 135.00 131.59 1cur s PRO 95 Ca 0.60 1.65 -0.22 0.00 0.04 0.00 0.00 61.00 63.07 1cur s PRO 95 Cb -0.21 -3.28 -0.10 0.00 0.04 0.00 0.00 34.50 30.95 1cur s PRO 95 CO 0.26 0.18 0.97 0.71 0.04 0.00 0.00 177.00 179.16 1cur s TYR 96 N -0.46 3.30 0.34 0.56 2.02 -1.24 -5.02 117.35 116.87 1cur s TYR 96 Ca 0.47 1.62 -0.26 0.00 -0.37 0.00 0.00 57.07 58.54 1cur s TYR 96 Cb -0.28 -2.90 -0.09 0.00 -0.40 0.00 0.00 41.96 38.28 1cur s TYR 96 CO 0.34 -0.21 1.02 0.00 -1.57 0.00 0.00 175.55 175.13 1cur s ALA 97 N -2.07 3.20 0.16 3.71 0.00 -1.26 -4.14 121.76 121.36 1cur s ALA 97 Ca 0.61 0.67 -0.13 0.00 0.00 0.00 0.00 51.96 53.12 1cur s ALA 97 Cb -0.12 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 19.81 1cur s ALA 97 CO 0.16 -0.05 1.72 0.28 0.00 0.00 0.00 175.76 177.87 1cur h VAL 98 N 2.55 1.22 -3.48 0.00 2.07 -1.95 -3.35 116.25 113.31 1cur h VAL 98 Ca -0.47 -0.67 -0.52 0.00 0.82 0.00 0.00 66.70 65.85 1cur h VAL 98 Cb 1.21 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1cur h VAL 98 CO 0.64 0.26 0.42 -0.04 0.02 0.00 0.00 177.57 178.87 1cur s MET 99 N -5.57 4.60 -1.11 1.57 -1.94 -1.26 -0.44 119.30 115.16 1cur s MET 99 Ca -0.13 1.55 -0.22 0.00 -1.71 0.00 0.00 55.69 55.19 1cur s MET 99 Cb 0.12 -3.37 0.01 0.00 2.01 0.00 0.00 34.83 33.60 1cur s MET 99 CO 0.78 0.05 1.74 -1.25 -0.01 0.00 0.00 175.02 176.33 1cur s PRO 100 N 0.30 3.25 -0.55 2.03 0.04 -1.26 -4.90 135.00 133.90 1cur s PRO 100 Ca 0.50 -1.19 -0.28 0.00 0.04 0.00 0.00 61.00 60.07 1cur s PRO 100 Cb -0.25 -5.32 0.01 0.00 0.04 0.00 0.00 34.50 28.98 1cur s PRO 100 CO 0.30 -2.85 1.40 0.08 0.04 0.00 0.00 177.00 175.98 1cur s VAL 101 N 7.14 3.81 -1.35 -0.36 1.01 -1.26 -4.88 120.40 124.50 1cur s VAL 101 Ca 0.58 0.71 -0.16 0.00 0.00 0.00 0.00 61.98 63.11 1cur s VAL 101 Cb -0.01 -4.43 0.03 0.00 0.00 0.00 0.00 36.38 31.97 1cur s VAL 101 CO 0.02 -1.14 2.07 2.30 0.00 0.00 0.00 175.10 178.35 1cur n ILE 102 N 6.87 3.40 -1.40 2.22 -5.35 -1.26 -4.95 119.36 118.89 1cur n ILE 102 Ca 0.13 -3.16 -0.34 0.00 -0.27 0.00 0.00 62.75 59.11 1cur n ILE 102 Cb 0.49 -2.50 0.10 0.00 -1.74 0.00 0.00 39.64 35.98 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 3.72 4.16 -0.70 7.28 1.11 -1.26 -4.72 116.67 126.25 1cur s ASP 103 Ca 0.50 2.33 -0.32 0.00 0.18 0.00 0.00 52.55 55.25 1cur s ASP 103 Cb 0.11 -2.59 -0.18 0.00 1.07 0.00 0.00 42.92 41.33 1cur s ASP 103 CO -0.02 -2.29 2.18 -2.65 1.18 0.00 0.00 175.17 173.57 1cur n PRO 104 N -2.80 0.00 -2.66 8.23 -0.02 -1.26 -4.86 135.00 131.62 1cur n PRO 104 Ca 0.13 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 1cur n PRO 104 Cb 0.50 -1.32 -0.03 0.00 -0.02 0.00 0.00 33.50 32.63 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 6.86 4.62 0.00 4.25 -1.09 -1.26 -4.71 121.20 129.86 1cur s ILE 105 Ca 1.14 1.96 0.00 0.00 -2.23 0.00 0.00 60.65 61.52 1cur s ILE 105 Cb -1.20 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 35.43 1cur s ILE 105 CO 0.49 0.19 0.00 0.52 -1.23 0.00 0.00 174.94 174.91 1cur n VAL 106 N 3.59 0.00 -3.71 2.92 0.31 -0.12 -4.94 118.33 116.39 1cur n VAL 106 Ca 0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.07 1cur n VAL 106 Cb 0.50 -0.06 -0.04 0.00 -0.91 0.00 0.00 33.84 33.33 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 -4.01 3.83 -0.08 3.52 0.00 -1.22 -4.99 121.76 118.81 1cur s ALA 107 Ca 0.00 -0.62 -0.32 0.00 0.00 0.00 0.00 51.96 51.02 1cur s ALA 107 Cb 0.00 -2.07 0.13 0.00 0.00 0.00 0.00 23.12 21.18 1cur s ALA 107 CO 0.00 0.68 1.32 0.20 0.00 0.00 0.00 175.76 177.97 1cur s GLY 108 N -2.50 -0.41 -0.12 0.00 0.00 -1.26 -0.05 107.32 102.99 1cur s GLY 108 Ca 0.40 0.96 0.03 0.00 0.00 0.00 0.00 44.72 46.11 1cur s GLY 108 CO 0.25 0.22 -0.22 -0.51 0.00 0.00 0.00 173.10 172.85 1cur s THR 109 N -2.29 1.98 -1.12 0.90 -4.23 0.25 -0.16 115.64 110.97 1cur s THR 109 Ca 0.14 -0.95 -0.08 0.00 -1.18 0.00 0.00 61.69 59.62 1cur s THR 109 Cb 0.05 -1.73 -0.08 0.00 1.34 0.00 0.00 72.50 72.07 1cur s THR 109 CO -0.05 0.54 3.00 0.61 -0.54 0.00 0.00 174.62 178.18 1cur n GLY 110 N 3.81 4.15 1.87 3.99 0.00 -1.20 -3.93 105.19 113.88 1cur n GLY 110 Ca -0.20 -1.56 -0.02 0.00 0.00 0.00 0.00 46.02 44.24 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 2.80 -1.52 -1.52 1.61 3.72 -1.26 -5.03 117.46 116.27 1cur n PHE 111 Ca 0.66 0.88 -0.31 0.00 -0.05 0.00 0.00 57.45 58.63 1cur n PHE 111 Cb 0.41 -2.33 0.06 0.00 -0.94 0.00 0.00 39.48 36.69 1cur n PHE 111 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1cur s SER 112 N -0.23 5.17 1.16 4.37 1.04 -0.36 -4.90 113.70 119.94 1cur s SER 112 Ca -0.10 1.63 -0.15 0.00 0.48 0.00 0.00 55.95 57.81 1cur s SER 112 Cb 0.01 -2.47 0.22 0.00 0.10 0.00 0.00 66.02 63.88 1cur s SER 112 CO 0.27 -1.58 0.64 -0.81 0.98 0.00 0.00 173.24 172.74 1cur n PRO 113 N -3.22 -2.14 -3.97 4.02 -0.04 -1.26 -4.08 135.00 124.32 1cur n PRO 113 Ca 0.08 -0.60 -0.31 0.00 -0.04 0.00 0.00 63.50 62.63 1cur n PRO 113 Cb 0.54 -1.99 -0.15 0.00 -0.04 0.00 0.00 33.50 31.86 1cur n PRO 113 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1cur s VAL 114 N -2.34 2.21 1.21 0.52 1.01 -1.26 -4.74 120.40 117.00 1cur s VAL 114 Ca 0.64 -2.53 -0.20 0.00 0.00 0.00 0.00 61.98 59.89 1cur s VAL 114 Cb -0.21 -2.60 0.30 0.00 0.00 0.00 0.00 36.38 33.87 1cur s VAL 114 CO 0.66 -0.67 1.11 -2.65 0.00 0.00 0.00 175.10 173.54 1cur n PRO 115 N 3.98 -3.01 -0.73 2.72 -0.02 -1.26 -5.00 135.00 131.69 1cur n PRO 115 Ca 0.04 -1.76 0.00 0.00 -2.02 0.00 0.00 63.50 59.76 1cur n PRO 115 Cb 0.39 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 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 -4.76 2.52 -1.42 -0.52 4.76 -1.26 -4.81 118.16 112.67 1cur n LYS 116 Ca 0.15 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.24 1cur n LYS 116 Cb 0.59 0.00 0.10 0.00 -1.84 0.00 0.00 35.03 33.87 1cur n LYS 116 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1cur s ASP 117 N -0.49 4.11 0.00 4.39 -4.77 -1.26 -3.74 116.67 114.91 1cur s ASP 117 Ca 0.00 2.45 0.00 0.00 -3.30 0.00 0.00 52.55 51.70 1cur s ASP 117 Cb 0.00 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.23 1cur s ASP 117 CO 0.00 -2.33 0.00 0.61 0.70 0.00 0.00 175.17 174.15 1cur n GLY 118 N 0.59 1.26 3.85 2.12 0.00 -1.26 -4.92 105.19 106.83 1cur n GLY 118 Ca 0.14 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 3.85 -0.22 1.61 1.02 -1.25 -2.83 119.74 121.92 1cur s LYS 119 Ca 0.00 0.89 -0.03 0.00 0.02 0.00 0.00 55.97 56.85 1cur s LYS 119 Cb 0.00 -2.12 0.07 0.00 -0.52 0.00 0.00 37.83 35.26 1cur s LYS 119 CO 0.00 -0.36 0.07 -0.06 -0.92 0.00 0.00 175.35 174.08 1cur s PHE 120 N -2.78 0.89 0.04 3.18 0.08 0.54 -4.61 117.98 115.32 1cur s PHE 120 Ca 0.58 -0.91 -0.30 0.00 0.12 0.00 0.00 56.93 56.41 1cur s PHE 120 Cb -0.10 -1.06 -0.08 0.00 -0.57 0.00 0.00 43.02 41.21 1cur s PHE 120 CO 0.38 -0.67 1.70 0.20 -0.10 0.00 0.00 175.22 176.73 1cur s GLY 121 N 1.90 1.53 0.22 4.36 0.00 -1.25 -0.17 107.32 113.91 1cur s GLY 121 Ca 0.03 1.18 0.04 0.00 0.00 0.00 0.00 44.72 45.96 1cur s GLY 121 CO -0.15 3.01 -0.01 -2.52 0.00 0.00 0.00 173.10 173.43 1cur s TYR 122 N 3.20 1.55 -0.20 1.90 1.13 0.43 -2.07 117.35 123.29 1cur s TYR 122 Ca 0.76 -0.90 -0.07 0.00 -1.41 0.00 0.00 57.07 55.45 1cur s TYR 122 Cb -0.39 -0.89 0.09 0.00 -1.10 0.00 0.00 41.96 39.67 1cur s TYR 122 CO 0.33 -0.02 0.43 0.99 -2.51 0.00 0.00 175.55 174.78 1cur s THR 123 N -3.40 -0.62 -0.45 -3.49 2.01 -0.87 -0.86 115.64 107.96 1cur s THR 123 Ca 0.27 0.15 -0.12 0.00 0.31 0.00 0.00 61.69 62.30 1cur s THR 123 Cb 0.05 -0.68 0.08 0.00 0.01 0.00 0.00 72.50 71.96 1cur s THR 123 CO 0.08 0.06 0.33 -1.81 -0.69 0.00 0.00 174.62 172.60 1cur s ASP 124 N 2.54 5.88 0.09 3.53 1.01 -1.23 -0.85 116.67 127.63 1cur s ASP 124 Ca -0.03 -1.46 0.10 0.00 0.71 0.00 0.00 52.55 51.87 1cur s ASP 124 Cb -0.12 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 1cur s ASP 124 CO -0.13 -0.60 -0.24 0.72 0.21 0.00 0.00 175.17 175.13 1cur s PHE 125 N 1.52 2.39 0.11 4.23 -0.12 -0.10 -4.81 117.98 121.20 1cur s PHE 125 Ca 0.04 -0.35 0.03 0.00 -0.05 0.00 0.00 56.93 56.60 1cur s PHE 125 Cb -0.24 -1.34 -0.04 0.00 -0.63 0.00 0.00 43.02 40.77 1cur s PHE 125 CO 0.04 0.28 0.14 0.99 -0.05 0.00 0.00 175.22 176.61 1cur s THR 126 N -0.99 4.73 -0.05 -4.49 2.01 -1.26 -0.36 115.64 115.23 1cur s THR 126 Ca 0.14 -0.80 -0.17 0.00 0.31 0.00 0.00 61.69 61.17 1cur s THR 126 Cb -0.10 -3.34 0.03 0.00 0.01 0.00 0.00 72.50 69.10 1cur s THR 126 CO 0.06 0.03 0.38 0.86 -0.69 0.00 0.00 174.62 175.26 1cur s TRP 127 N -1.56 -0.31 -0.28 4.92 -0.00 0.61 -4.95 118.94 117.38 1cur s TRP 127 Ca 0.31 0.57 -0.01 0.00 -0.00 0.00 0.00 56.10 56.98 1cur s TRP 127 Cb -0.12 0.15 0.05 0.00 -0.00 0.00 0.00 33.47 33.55 1cur s TRP 127 CO 0.24 -0.38 -0.04 -1.01 -0.00 0.00 0.00 176.95 175.76 1cur s HIS 128 N -0.96 3.21 0.09 5.86 3.76 -1.26 -0.54 115.29 125.45 1cur s HIS 128 Ca -0.10 -1.90 -0.01 0.00 -0.15 0.00 0.00 55.06 52.89 1cur s HIS 128 Cb -0.04 -2.05 0.02 0.00 1.11 0.00 0.00 32.58 31.62 1cur s HIS 128 CO 0.04 -0.81 0.13 -0.35 -0.85 0.00 0.00 174.74 172.90 1cur n PRO 129 N 4.59 0.01 -3.94 8.40 -0.04 -1.26 -5.04 135.00 137.73 1cur n PRO 129 Ca -0.14 -0.22 -0.10 0.00 -0.04 0.00 0.00 63.50 63.00 1cur n PRO 129 Cb 0.44 -0.12 -0.11 0.00 -0.04 0.00 0.00 33.50 33.66 1cur n PRO 129 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1cur s THR 130 N -1.04 0.08 0.68 0.52 -4.23 -1.26 -5.03 115.64 105.37 1cur s THR 130 Ca 0.07 -0.69 -0.16 0.00 -1.18 0.00 0.00 61.69 59.73 1cur s THR 130 Cb -0.00 -0.25 0.01 0.00 1.34 0.00 0.00 72.50 73.61 1cur s THR 130 CO 0.05 -0.38 1.22 0.00 -0.54 0.00 0.00 174.62 174.98 1cur s ALA 131 N -1.14 2.26 0.00 3.99 0.00 -1.26 -4.70 121.76 120.92 1cur s ALA 131 Ca -0.12 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1cur s ALA 131 Cb -0.08 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1cur s ALA 131 CO -0.00 -1.66 0.00 0.41 0.00 0.00 0.00 175.76 174.50 1cur n GLY 132 N 0.50 0.10 2.96 0.00 0.00 0.71 -4.96 105.19 104.50 1cur n GLY 132 Ca 0.14 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 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 0.00 -0.01 0.39 2.61 2.01 -1.26 -0.28 115.64 119.09 1cur s THR 133 Ca 0.00 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.08 1cur s THR 133 Cb 0.00 -0.16 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 1cur s THR 133 CO 0.00 0.02 0.13 -0.31 -0.69 0.00 0.00 174.62 173.77 1cur s TYR 134 N 0.33 1.79 0.00 4.92 2.02 0.25 -4.96 117.35 121.69 1cur s TYR 134 Ca -0.02 -1.26 -0.04 0.00 -0.37 0.00 0.00 57.07 55.38 1cur s TYR 134 Cb -0.04 -1.14 -0.00 0.00 -0.40 0.00 0.00 41.96 40.38 1cur s TYR 134 CO -0.01 -0.29 0.07 0.71 -1.57 0.00 0.00 175.55 174.45 1cur s TYR 135 N -3.26 0.09 0.07 2.71 1.51 0.30 -0.39 117.35 118.38 1cur s TYR 135 Ca 0.26 -0.20 0.07 0.00 -1.01 0.00 0.00 57.07 56.20 1cur s TYR 135 Cb 0.03 -0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 41.77 1cur s TYR 135 CO 0.15 -0.20 -0.16 1.52 -1.11 0.00 0.00 175.55 175.75 1cur s TYR 136 N -1.11 2.61 0.04 2.71 1.13 0.27 -0.75 117.35 122.25 1cur s TYR 136 Ca -0.12 -0.22 -0.07 0.00 -1.41 0.00 0.00 57.07 55.25 1cur s TYR 136 Cb -0.07 -1.44 -0.00 0.00 -1.10 0.00 0.00 41.96 39.34 1cur s TYR 136 CO 0.00 0.32 0.14 0.14 -2.51 0.00 0.00 175.55 173.65 1cur s VAL 137 N -1.03 0.12 -0.46 -3.49 -7.23 -0.00 -0.73 120.40 107.57 1cur s VAL 137 Ca 0.17 -0.99 -0.18 0.00 -1.81 0.00 0.00 61.98 59.17 1cur s VAL 137 Cb -0.11 -0.87 0.04 0.00 0.56 0.00 0.00 36.38 36.01 1cur s VAL 137 CO 0.08 -0.54 0.54 0.00 -0.31 0.00 0.00 175.10 174.86 1cur n GLN 139 N 5.87 0.74 -3.51 0.00 1.13 -1.26 -3.51 117.38 116.83 1cur n GLN 139 Ca -0.07 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.63 1cur n GLN 139 Cb 0.46 -1.13 -0.06 0.00 0.11 0.00 0.00 30.24 29.62 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 0.49 5.03 0.25 5.09 1.01 -1.26 -4.77 121.20 127.05 1cur s ILE 140 Ca 0.00 0.68 -0.29 0.00 0.00 0.00 0.00 60.65 61.04 1cur s ILE 140 Cb 0.00 -3.69 -0.15 0.00 0.01 0.00 0.00 42.46 38.63 1cur s ILE 140 CO 0.00 0.42 0.97 -2.65 0.00 0.00 0.00 174.94 173.68 1cur n PRO 141 N 1.31 1.12 0.00 2.79 -0.02 -1.26 -2.76 135.00 136.19 1cur n PRO 141 Ca -0.10 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1cur n PRO 141 Cb 0.52 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 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 1.49 1.13 0.39 -1.23 0.00 0.41 -4.78 105.19 102.60 1cur n GLY 142 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.25 0.22 1.61 3.86 -1.78 0.21 115.15 118.01 1cur h HIS 143 Ca 0.00 0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1cur h HIS 143 Cb 0.00 0.66 -0.01 0.00 1.06 0.00 0.00 27.41 29.12 1cur h HIS 143 CO 0.00 -0.40 -0.19 0.00 0.86 0.00 0.00 177.93 178.19 1cur h ALA 144 N 0.94 -0.41 -0.78 2.45 0.00 -1.71 -0.60 119.26 119.14 1cur h ALA 144 Ca 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1cur h ALA 144 Cb 0.55 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1cur h ALA 144 CO -0.84 -0.75 0.41 0.00 0.00 0.00 0.00 179.25 178.07 1cur h ALA 145 N 0.30 1.25 0.04 0.00 0.00 -1.43 -3.08 119.26 116.34 1cur h ALA 145 Ca -0.01 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.56 1cur h ALA 145 Cb 0.40 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1cur h ALA 145 CO -0.03 0.60 -1.01 1.79 0.00 0.00 0.00 179.25 180.60 1cur h THR 146 N 1.10 1.57 0.00 0.00 1.35 -0.51 -3.45 112.91 112.97 1cur h THR 146 Ca 0.27 -2.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.14 1cur h THR 146 Cb 0.06 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 1cur h THR 146 CO -0.04 0.87 0.00 0.61 -0.25 0.00 0.00 175.52 176.70 1cur n GLY 147 N 1.19 0.21 3.57 5.82 0.00 -0.61 -4.85 105.19 110.51 1cur n GLY 147 Ca -0.04 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 3.81 0.27 1.61 0.00 -0.33 -4.46 119.30 120.20 1cur s MET 148 Ca 0.00 -1.63 0.01 0.00 0.00 0.00 0.00 55.69 54.07 1cur s MET 148 Cb 0.00 -5.44 -0.03 0.00 0.00 0.00 0.00 34.83 29.36 1cur s MET 148 CO 0.00 -2.22 0.26 -0.59 0.00 0.00 0.00 175.02 172.47 1cur s PHE 149 N 4.46 1.31 -0.24 3.16 -0.12 -1.26 -2.82 117.98 122.47 1cur s PHE 149 Ca 0.50 -1.42 -0.12 0.00 -0.05 0.00 0.00 56.93 55.83 1cur s PHE 149 Cb 0.02 -0.50 0.08 0.00 -0.63 0.00 0.00 43.02 41.99 1cur s PHE 149 CO -0.00 -0.82 0.56 0.20 -0.05 0.00 0.00 175.22 175.11 1cur s GLY 150 N -3.24 -0.51 0.03 1.99 0.00 0.09 -4.74 107.32 100.95 1cur s GLY 150 Ca 0.37 2.02 -0.30 0.00 0.00 0.00 0.00 44.72 46.81 1cur s GLY 150 CO 0.19 2.21 1.09 0.54 0.00 0.00 0.00 173.10 177.12 1cur s LYS 151 N 1.75 4.50 -0.42 2.90 1.02 -1.26 -0.57 119.74 127.65 1cur s LYS 151 Ca -0.09 1.60 -0.05 0.00 0.02 0.00 0.00 55.97 57.45 1cur s LYS 151 Cb -0.07 -3.40 0.11 0.00 -0.52 0.00 0.00 37.83 33.94 1cur s LYS 151 CO -0.17 -0.15 0.24 0.42 -0.92 0.00 0.00 175.35 174.77 1cur s ILE 152 N 1.01 3.61 -0.44 2.17 1.01 0.48 -0.60 121.20 128.43 1cur s ILE 152 Ca 0.55 -1.89 -0.23 0.00 0.00 0.00 0.00 60.65 59.08 1cur s ILE 152 Cb -0.25 -3.41 0.02 0.00 0.01 0.00 0.00 42.46 38.83 1cur s ILE 152 CO 0.29 -0.67 0.77 -0.69 0.00 0.00 0.00 174.94 174.63 1cur s VAL 153 N 1.23 4.67 -0.72 2.92 1.01 0.07 -0.59 120.40 129.01 1cur s VAL 153 Ca 0.06 0.41 -0.16 0.00 0.00 0.00 0.00 61.98 62.29 1cur s VAL 153 Cb -0.24 -4.30 0.16 0.00 0.00 0.00 0.00 36.38 32.00 1cur s VAL 153 CO -0.03 -0.69 0.73 -0.69 0.00 0.00 0.00 175.10 174.42 1cur s VAL 154 N 3.22 5.24 0.00 2.92 1.01 0.61 -0.19 120.40 133.22 1cur s VAL 154 Ca 0.29 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.46 1cur s VAL 154 Cb -0.12 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.78 1cur s VAL 154 CO 0.22 -1.07 0.00 0.29 0.00 0.00 0.00 175.10 174.54