#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 3.56 0.00 2.61 -2.24 -1.26 -3.28 114.28 113.68 1cur n THR 2 Ca 0.00 -2.11 0.00 0.00 -2.27 0.00 0.00 64.05 59.67 1cur n THR 2 Cb 0.00 -2.41 0.00 0.00 -2.10 0.00 0.00 70.33 65.82 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 3.77 0.00 -4.21 3.22 4.32 -1.15 -3.22 117.00 119.73 1cur n LEU 3 Ca 0.65 0.00 -0.44 0.00 -0.02 0.00 0.00 56.01 56.20 1cur n LEU 3 Cb 0.21 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.02 1cur n LEU 3 CO 0.78 0.00 1.10 -0.67 -1.22 0.00 0.00 177.39 177.38 1cur n ASP 4 N 0.07 5.70 0.00 -1.43 -0.08 -1.26 -1.05 116.55 118.50 1cur n ASP 4 Ca 0.00 -3.15 0.00 0.00 -1.51 0.00 0.00 54.79 50.13 1cur n ASP 4 Cb 0.00 -1.39 0.00 0.00 2.34 0.00 0.00 41.12 42.07 1cur n ASP 4 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1cur n THR 5 N 2.64 0.00 -1.34 5.18 -2.24 -1.20 -4.97 114.28 112.35 1cur n THR 5 Ca 0.28 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.68 1cur n THR 5 Cb 0.38 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.58 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 -1.38 3.53 -3.34 4.28 -1.04 -1.26 -4.90 114.28 110.16 1cur n THR 6 Ca 0.00 -2.45 -0.27 0.00 -2.04 0.00 0.00 64.05 59.28 1cur n THR 6 Cb 0.00 -2.52 -0.02 0.00 -1.82 0.00 0.00 70.33 65.97 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 2.95 3.49 0.38 -1.42 0.52 -1.26 -0.98 118.94 122.61 1cur s TRP 7 Ca 0.57 0.55 -0.09 0.00 0.02 0.00 0.00 56.10 57.15 1cur s TRP 7 Cb 0.15 -2.04 0.03 0.00 -1.15 0.00 0.00 33.47 30.47 1cur s TRP 7 CO -0.05 0.16 0.66 0.15 0.02 0.00 0.00 176.95 177.89 1cur s LYS 8 N -3.78 2.13 0.02 4.98 1.02 -0.07 -4.92 119.74 119.13 1cur s LYS 8 Ca 0.43 -1.62 0.00 0.00 0.02 0.00 0.00 55.97 54.80 1cur s LYS 8 Cb -0.10 0.55 -0.02 0.00 -0.52 0.00 0.00 37.83 37.73 1cur s LYS 8 CO 0.32 -0.95 -0.03 -1.21 -0.92 0.00 0.00 175.35 172.55 1cur s GLU 9 N -2.54 0.34 0.00 1.68 2.02 -1.26 -0.19 118.70 118.75 1cur s GLU 9 Ca 0.22 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.58 1cur s GLU 9 Cb -0.03 0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.28 1cur s GLU 9 CO 0.16 -0.04 0.00 0.00 0.02 0.00 0.00 175.26 175.40 1cur n ALA 10 N 1.55 0.00 -2.30 5.21 0.00 0.61 -4.91 120.51 120.67 1cur n ALA 10 Ca -0.24 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.04 1cur n ALA 10 Cb 0.55 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.90 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 0.77 0.38 0.15 0.00 -4.23 -1.26 -0.35 115.64 111.10 1cur s THR 11 Ca 0.00 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.22 1cur s THR 11 Cb 0.00 -2.57 -0.06 0.00 1.34 0.00 0.00 72.50 71.21 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 -0.47 -0.98 0.19 4.79 0.00 -0.30 -0.26 117.00 119.98 1cur n LEU 12 Ca 0.01 1.66 0.08 0.00 0.00 0.00 0.00 56.01 57.76 1cur n LEU 12 Cb 0.66 -0.22 0.60 0.00 0.00 0.00 0.00 43.42 44.46 1cur n LEU 12 CO 0.36 -1.35 1.09 1.55 0.00 0.00 0.00 177.39 179.04 1cur h PRO 13 N 0.00 0.11 0.00 1.96 0.13 -1.99 -0.71 132.00 131.51 1cur h PRO 13 Ca 0.15 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 1cur h PRO 13 Cb 0.39 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.49 1cur h PRO 13 CO -0.88 0.08 -0.10 1.96 -0.23 0.00 0.00 178.00 178.82 1cur h GLN 14 N 0.12 0.00 0.12 0.86 1.08 -1.03 -0.91 115.11 115.34 1cur h GLN 14 Ca 0.04 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1cur h GLN 14 Cb 0.03 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1cur h GLN 14 CO -0.01 0.10 -0.08 0.28 -0.95 0.00 0.00 178.83 178.17 1cur h VAL 15 N 0.00 0.82 -0.11 -0.54 2.07 -0.90 0.12 116.25 117.72 1cur h VAL 15 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1cur h VAL 15 Cb 0.43 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1cur h VAL 15 CO 0.01 0.00 0.06 0.11 0.02 0.00 0.00 177.57 177.78 1cur h LYS 16 N -0.20 0.13 -0.23 1.57 1.57 -1.45 -0.12 116.57 117.85 1cur h LYS 16 Ca -0.01 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1cur h LYS 16 Cb 0.17 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.38 1cur h LYS 16 CO 0.00 0.09 -0.36 0.00 -0.57 0.00 0.00 179.45 178.60 1cur h ALA 17 N 1.05 -0.40 0.12 3.86 0.00 -0.96 -0.59 119.26 122.34 1cur h ALA 17 Ca 0.04 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1cur h ALA 17 Cb -0.01 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1cur h ALA 17 CO -0.02 -0.82 -0.15 0.52 0.00 0.00 0.00 179.25 178.78 1cur h MET 18 N -0.38 -0.29 -0.75 0.00 2.86 -0.54 -2.74 114.93 113.08 1cur h MET 18 Ca 0.11 0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.92 1cur h MET 18 Cb 0.57 0.07 -0.10 0.00 0.06 0.00 0.00 31.60 32.20 1cur h MET 18 CO -0.43 -0.20 0.27 -0.07 1.06 0.00 0.00 176.91 177.54 1cur h LEU 19 N -0.30 0.21 -2.38 1.22 3.38 -0.54 0.12 115.31 117.01 1cur h LEU 19 Ca 0.01 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1cur h LEU 19 Cb 0.30 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1cur h LEU 19 CO -0.06 0.06 0.07 -0.33 0.09 0.00 0.00 178.44 178.27 1cur h GLU 20 N 0.39 0.00 0.00 1.13 4.39 -0.81 -0.69 114.58 118.99 1cur h GLU 20 Ca 0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.12 1cur h GLU 20 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1cur h GLU 20 CO -0.44 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.04 1cur n LYS 21 N -3.83 0.89 -1.41 2.33 4.01 0.43 -4.88 118.16 115.71 1cur n LYS 21 Ca -0.01 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.44 1cur n LYS 21 Cb 0.17 -1.50 0.10 0.00 -0.51 0.00 0.00 35.03 33.29 1cur n LYS 21 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 1cur s ASP 22 N -2.10 4.07 -0.21 4.39 1.47 -0.27 -4.87 116.67 119.14 1cur s ASP 22 Ca 0.44 2.46 0.12 0.00 1.18 0.00 0.00 52.55 56.75 1cur s ASP 22 Cb 0.21 -2.60 0.42 0.00 -0.34 0.00 0.00 42.92 40.62 1cur s ASP 22 CO 0.38 -2.35 1.27 0.35 0.68 0.00 0.00 175.17 175.50 1cur n THR 23 N -2.68 2.24 -3.29 2.11 -2.24 -1.11 -4.99 114.28 104.32 1cur n THR 23 Ca 0.14 -2.90 -0.41 0.00 -2.27 0.00 0.00 64.05 58.61 1cur n THR 23 Cb 0.50 -0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.96 1.85 0.52 3.38 0.00 -1.26 -4.39 107.32 104.46 1cur s GLY 24 Ca 0.39 -0.96 -0.17 0.00 0.00 0.00 0.00 44.72 43.99 1cur s GLY 24 CO -0.03 1.17 1.00 0.54 0.00 0.00 0.00 173.10 175.77 1cur s LYS 25 N 2.26 3.86 0.36 2.90 -0.14 0.89 -4.79 119.74 125.08 1cur s LYS 25 Ca 0.17 1.00 -0.25 0.00 -1.36 0.00 0.00 55.97 55.54 1cur s LYS 25 Cb -0.16 -2.12 -0.10 0.00 -1.68 0.00 0.00 37.83 33.77 1cur s LYS 25 CO 0.12 -0.35 0.95 0.08 -0.76 0.00 0.00 175.35 175.39 1cur s VAL 26 N -2.57 4.23 -0.42 3.17 1.01 -1.26 -0.34 120.40 124.21 1cur s VAL 26 Ca 0.60 1.71 0.08 0.00 0.00 0.00 0.00 61.98 64.37 1cur s VAL 26 Cb -0.11 -3.88 0.30 0.00 0.00 0.00 0.00 36.38 32.69 1cur s VAL 26 CO 0.31 0.01 0.81 -1.20 0.00 0.00 0.00 175.10 175.03 1cur n SER 27 N 0.20 -0.88 0.00 3.32 7.64 0.10 -4.74 113.62 119.27 1cur n SER 27 Ca 0.03 -3.17 0.00 0.00 1.01 0.00 0.00 58.87 56.74 1cur n SER 27 Cb 0.51 0.52 0.00 0.00 -1.01 0.00 0.00 64.21 64.23 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 0.84 2.41 0.16 0.23 0.00 -1.26 -0.73 105.19 106.83 1cur n GLY 28 Ca 0.16 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 -2.08 1.61 2.03 -1.99 -3.46 116.42 112.53 1cur h ASP 29 Ca 0.00 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.82 1cur h ASP 29 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 1cur h ASP 29 CO 0.00 0.00 -0.46 -0.89 -1.03 0.00 0.00 179.24 176.86 1cur s THR 30 N -3.17 4.50 0.08 1.15 2.01 0.09 -3.60 115.64 116.70 1cur s THR 30 Ca 0.09 -1.21 0.08 0.00 0.31 0.00 0.00 61.69 60.95 1cur s THR 30 Cb 0.09 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 1cur s THR 30 CO 0.62 -0.29 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.37 1cur s VAL 31 N -2.12 1.62 -0.03 3.82 1.01 0.65 0.03 120.40 125.39 1cur s VAL 31 Ca 0.36 -1.41 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1cur s VAL 31 Cb -0.08 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1cur s VAL 31 CO 0.27 0.00 -0.03 -0.89 0.00 0.00 0.00 175.10 174.45 1cur s THR 32 N -1.06 0.41 0.40 3.92 2.01 0.53 -0.58 115.64 121.27 1cur s THR 32 Ca 0.06 -0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.06 1cur s THR 32 Cb -0.10 -0.44 0.00 0.00 0.01 0.00 0.00 72.50 71.98 1cur s THR 32 CO 0.03 0.18 0.53 -0.31 -0.69 0.00 0.00 174.62 174.37 1cur s TYR 33 N 0.76 2.87 0.05 4.92 1.51 0.08 -0.08 117.35 127.47 1cur s TYR 33 Ca -0.09 -0.36 -0.20 0.00 -1.01 0.00 0.00 57.07 55.40 1cur s TYR 33 Cb -0.12 -2.28 0.05 0.00 -0.11 0.00 0.00 41.96 39.50 1cur s TYR 33 CO -0.00 -0.30 0.47 -1.12 -1.11 0.00 0.00 175.55 173.48 1cur s SER 34 N -4.29 -0.37 0.11 2.29 0.01 -1.26 -4.62 113.70 105.57 1cur s SER 34 Ca 0.52 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1cur s SER 34 Cb -0.09 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1cur s SER 34 CO 0.32 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1cur n GLY 35 N 0.41 -1.83 0.09 3.44 0.00 -1.26 -4.60 105.19 101.44 1cur n GLY 35 Ca -0.18 -1.41 -0.06 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.37 0.03 -4.82 1.61 1.57 -1.96 -3.40 116.57 109.24 1cur h LYS 36 Ca -0.01 -0.04 -0.68 0.00 -1.87 0.00 0.00 60.65 58.05 1cur h LYS 36 Cb 0.36 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 1cur h LYS 36 CO 0.01 0.92 2.64 2.41 -0.57 0.00 0.00 179.45 184.85 1cur n THR 37 N -3.49 3.49 -2.74 -0.16 -1.04 -1.26 0.18 114.28 109.25 1cur n THR 37 Ca -0.01 -3.32 -0.42 0.00 -2.04 0.00 0.00 64.05 58.25 1cur n THR 37 Cb 0.86 -2.47 -0.03 0.00 -1.82 0.00 0.00 70.33 66.87 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 4.04 4.33 -0.58 12.58 1.01 -0.21 -4.76 120.40 136.81 1cur s VAL 38 Ca 0.51 -1.24 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 1cur s VAL 38 Cb 0.09 -4.93 0.10 0.00 0.00 0.00 0.00 36.38 31.64 1cur s VAL 38 CO -0.00 -1.73 0.70 -2.28 0.00 0.00 0.00 175.10 171.78 1cur s HIS 39 N 3.79 2.99 -0.58 5.22 2.46 -1.26 -0.32 115.29 127.59 1cur s HIS 39 Ca 0.40 -0.88 -0.19 0.00 0.47 0.00 0.00 55.06 54.86 1cur s HIS 39 Cb -0.02 -3.94 0.10 0.00 -0.13 0.00 0.00 32.58 28.59 1cur s HIS 39 CO -0.09 -1.26 0.68 0.08 -2.47 0.00 0.00 174.74 171.68 1cur s VAL 40 N 2.72 4.86 -0.24 0.89 1.01 0.33 -2.75 120.40 127.22 1cur s VAL 40 Ca 0.12 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 1cur s VAL 40 Cb -0.23 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 1cur s VAL 40 CO 0.07 -1.09 0.36 -0.69 0.00 0.00 0.00 175.10 173.75 1cur s VAL 41 N 2.57 5.21 -0.13 2.92 1.01 -1.26 -0.60 120.40 130.13 1cur s VAL 41 Ca 0.11 0.58 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 1cur s VAL 41 Cb -0.25 -3.68 0.04 0.00 0.00 0.00 0.00 36.38 32.49 1cur s VAL 41 CO 0.06 0.22 -0.01 0.00 0.00 0.00 0.00 175.10 175.37 1cur s ALA 42 N 1.62 1.01 -0.39 5.51 0.00 -0.04 -3.77 121.76 125.69 1cur s ALA 42 Ca 0.16 -0.46 -0.20 0.00 0.00 0.00 0.00 51.96 51.45 1cur s ALA 42 Cb -0.15 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.03 1cur s ALA 42 CO 0.08 -0.70 0.62 0.00 0.00 0.00 0.00 175.76 175.76 1cur s ALA 43 N 1.85 3.41 -0.90 0.00 0.00 0.56 -0.43 121.76 126.24 1cur s ALA 43 Ca 0.03 -1.05 -0.21 0.00 0.00 0.00 0.00 51.96 50.72 1cur s ALA 43 Cb -0.14 -3.20 0.09 0.00 0.00 0.00 0.00 23.12 19.87 1cur s ALA 43 CO -0.07 -1.52 1.22 0.00 0.00 0.00 0.00 175.76 175.38 1cur s ALA 44 N 2.70 3.08 -0.18 0.00 0.00 0.14 -0.19 121.76 127.30 1cur s ALA 44 Ca 0.22 -2.37 -0.08 0.00 0.00 0.00 0.00 51.96 49.74 1cur s ALA 44 Cb -0.14 -4.19 0.03 0.00 0.00 0.00 0.00 23.12 18.82 1cur s ALA 44 CO 0.16 -3.18 0.15 0.28 0.00 0.00 0.00 175.76 173.18 1cur n VAL 45 N 6.07-10.98 -2.51 0.00 0.31 -0.68 -4.13 118.33 106.41 1cur n VAL 45 Ca 0.21 2.10 -0.40 0.00 -0.01 0.00 0.00 64.34 66.24 1cur n VAL 45 Cb 0.49 -6.15 -0.04 0.00 -0.91 0.00 0.00 33.84 27.23 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 -0.77 4.50 -0.40 7.52 1.43 -1.26 -4.08 118.68 125.62 1cur s LEU 46 Ca -0.18 2.21 -0.42 0.00 -1.03 0.00 0.00 54.13 54.71 1cur s LEU 46 Cb 0.01 -3.70 -0.17 0.00 0.03 0.00 0.00 46.19 42.36 1cur s LEU 46 CO 0.66 -0.16 1.83 -2.65 0.23 0.00 0.00 176.35 176.26 1cur n PRO 47 N 1.04 0.59 0.00 1.29 -0.02 -1.26 -0.77 135.00 135.87 1cur n PRO 47 Ca -0.00 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1cur n PRO 47 Cb 0.46 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 5.06 3.53 3.64 -1.23 0.00 -1.26 -5.08 105.19 109.85 1cur n GLY 48 Ca 0.35 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 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 2.56 -1.54 1.61 0.40 0.05 -4.92 117.98 116.14 1cur s PHE 49 Ca 0.00 0.80 -0.11 0.00 -0.60 0.00 0.00 56.93 57.02 1cur s PHE 49 Cb 0.00 -3.84 -0.02 0.00 0.51 0.00 0.00 43.02 39.67 1cur s PHE 49 CO 0.00 -2.07 2.63 -0.35 0.70 0.00 0.00 175.22 176.13 1cur n PRO 50 N 7.24 3.46 -0.93 0.24 -0.04 -1.26 -4.74 135.00 138.98 1cur n PRO 50 Ca 0.16 -2.48 0.12 0.00 -0.04 0.00 0.00 63.50 61.26 1cur n PRO 50 Cb 0.46 -2.96 -0.04 0.00 -0.04 0.00 0.00 33.50 30.92 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 4.35 -2.37 -1.78 0.54 3.72 -1.26 -5.02 117.46 115.64 1cur n PHE 51 Ca 0.67 1.21 0.06 0.00 -0.05 0.00 0.00 57.45 59.34 1cur n PHE 51 Cb 0.29 -2.15 0.17 0.00 -0.94 0.00 0.00 39.48 36.85 1cur n PHE 51 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1cur n PRO 52 N -3.38 1.23 -3.28 -1.08 -0.04 -1.26 -5.09 135.00 122.10 1cur n PRO 52 Ca -0.01 -2.99 -0.39 0.00 -0.04 0.00 0.00 63.50 60.07 1cur n PRO 52 Cb 0.43 -1.26 -0.07 0.00 -0.04 0.00 0.00 33.50 32.56 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 -2.94 6.56 -0.64 3.54 1.04 -1.26 -1.65 113.70 118.35 1cur s SER 53 Ca 0.37 0.67 -0.28 0.00 0.48 0.00 0.00 55.95 57.19 1cur s SER 53 Cb 0.37 -2.28 0.03 0.00 0.10 0.00 0.00 66.02 64.23 1cur s SER 53 CO -0.09 -0.14 1.25 -0.36 0.98 0.00 0.00 173.24 174.88 1cur s PHE 54 N 1.43 2.46 -0.41 5.02 0.08 -1.26 -1.69 117.98 123.60 1cur s PHE 54 Ca 0.24 0.25 -0.23 0.00 0.12 0.00 0.00 56.93 57.30 1cur s PHE 54 Cb -0.15 -4.55 0.02 0.00 -0.57 0.00 0.00 43.02 37.77 1cur s PHE 54 CO 0.09 -1.80 0.78 -1.21 -0.10 0.00 0.00 175.22 172.98 1cur s GLU 55 N 5.30 3.56 -0.78 0.44 2.02 0.73 -0.11 118.70 129.88 1cur s GLU 55 Ca 0.41 0.08 -0.02 0.00 0.02 0.00 0.00 54.97 55.46 1cur s GLU 55 Cb -0.08 -3.88 0.19 0.00 0.10 0.00 0.00 34.13 30.47 1cur s GLU 55 CO 0.21 -0.99 0.63 0.08 0.02 0.00 0.00 175.26 175.21 1cur s VAL 56 N 3.20 4.07 0.00 2.63 1.01 0.88 -0.33 120.40 131.86 1cur s VAL 56 Ca 0.30 -3.48 0.00 0.00 0.00 0.00 0.00 61.98 58.80 1cur s VAL 56 Cb -0.13 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1cur s VAL 56 CO 0.20 -1.00 0.00 0.00 0.00 0.00 0.00 175.10 174.30 1cur n HIS 57 N 2.82 0.00 0.22 5.22 1.44 -1.25 -0.76 115.22 122.91 1cur n HIS 57 Ca 0.16 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.96 1cur n HIS 57 Cb 0.37 0.00 0.46 0.00 0.12 0.00 0.00 29.99 30.94 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 -4.52 4.39 1.82 -1.93 -3.46 116.42 112.71 1cur h ASP 58 Ca 0.00 0.00 -0.47 0.00 -0.39 0.00 0.00 57.03 56.17 1cur h ASP 58 Cb 0.00 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 39.91 1cur h ASP 58 CO 0.00 0.25 -0.40 0.29 -1.61 0.00 0.00 179.24 177.78 1cur n LYS 59 N -3.47 0.64 -4.03 0.28 4.76 0.06 -5.15 118.16 111.24 1cur n LYS 59 Ca -0.00 -2.93 -0.26 0.00 -2.87 0.00 0.00 58.31 52.25 1cur n LYS 59 Cb 0.42 1.59 -0.17 0.00 -1.84 0.00 0.00 35.03 35.04 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 -3.32 1.45 -1.40 1.97 1.02 -1.26 -0.09 119.74 118.11 1cur s LYS 60 Ca 0.17 -0.25 -0.07 0.00 0.02 0.00 0.00 55.97 55.85 1cur s LYS 60 Cb 0.01 -1.47 0.04 0.00 -0.52 0.00 0.00 37.83 35.89 1cur s LYS 60 CO 0.12 -0.21 0.93 0.09 -0.92 0.00 0.00 175.35 175.36 1cur n ASN 61 N 4.71 -3.59 -4.67 2.83 3.02 0.84 -4.89 115.26 113.50 1cur n ASN 61 Ca -0.15 -0.74 -0.29 0.00 -0.03 0.00 0.00 54.58 53.38 1cur n ASN 61 Cb 0.50 -4.27 0.13 0.00 -0.61 0.00 0.00 39.78 35.53 1cur n ASN 61 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1cur s PRO 62 N -6.23 1.40 0.01 3.52 0.04 -1.26 -4.67 135.00 127.81 1cur s PRO 62 Ca 0.37 0.02 -0.17 0.00 0.04 0.00 0.00 61.00 61.26 1cur s PRO 62 Cb -0.18 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 1cur s PRO 62 CO 0.80 -1.97 0.47 0.99 0.04 0.00 0.00 177.00 177.32 1cur s THR 63 N -3.57 4.96 -0.16 1.26 2.01 -1.24 -3.96 115.64 114.93 1cur s THR 63 Ca 0.65 0.97 -0.02 0.00 0.31 0.00 0.00 61.69 63.60 1cur s THR 63 Cb -0.10 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 1cur s THR 63 CO 0.51 0.54 -0.08 -0.76 -0.69 0.00 0.00 174.62 174.14 1cur s LEU 64 N -0.89 2.90 -0.29 4.42 1.02 0.32 -0.25 118.68 125.91 1cur s LEU 64 Ca 0.26 -0.30 -0.11 0.00 0.02 0.00 0.00 54.13 54.00 1cur s LEU 64 Cb -0.17 -1.69 -0.05 0.00 0.02 0.00 0.00 46.19 44.30 1cur s LEU 64 CO 0.15 0.11 0.20 -1.61 0.02 0.00 0.00 176.35 175.21 1cur s GLU 65 N 0.69 3.90 0.01 1.70 2.02 0.25 -0.31 118.70 126.96 1cur s GLU 65 Ca -0.04 -0.35 0.07 0.00 0.02 0.00 0.00 54.97 54.66 1cur s GLU 65 Cb -0.15 -3.68 -0.02 0.00 0.10 0.00 0.00 34.13 30.38 1cur s GLU 65 CO 0.02 -0.21 -0.21 0.42 0.02 0.00 0.00 175.26 175.30 1cur s ILE 66 N 1.76 1.68 -0.25 -1.63 1.01 0.37 -0.74 121.20 123.40 1cur s ILE 66 Ca 0.07 -1.04 -0.29 0.00 0.00 0.00 0.00 60.65 59.39 1cur s ILE 66 Cb -0.16 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.89 1cur s ILE 66 CO 0.11 0.35 1.09 -2.16 0.00 0.00 0.00 174.94 174.34 1cur s PRO 67 N -0.81 4.18 0.35 2.79 0.04 -1.26 -0.99 135.00 139.30 1cur s PRO 67 Ca 0.08 1.31 -0.25 0.00 0.04 0.00 0.00 61.00 62.18 1cur s PRO 67 Cb -0.08 -3.70 -0.14 0.00 0.04 0.00 0.00 34.50 30.62 1cur s PRO 67 CO 0.00 -0.74 0.71 0.00 0.04 0.00 0.00 177.00 177.01 1cur n ALA 68 N 6.59 -1.22 0.00 8.56 0.00 0.46 -2.27 120.51 132.62 1cur n ALA 68 Ca 0.12 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1cur n ALA 68 Cb 0.46 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 2.90 3.59 0.00 0.00 0.05 -4.98 105.19 108.36 1cur n GLY 69 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.04 -1.10 -2.55 4.61 0.00 -0.96 -4.67 120.51 115.81 1cur n ALA 70 Ca 0.00 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.56 1cur n ALA 70 Cb 0.00 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 17.34 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 -2.35 3.78 -0.99 0.00 2.01 0.13 -4.08 115.64 114.13 1cur s THR 71 Ca 0.66 0.02 -0.23 0.00 0.31 0.00 0.00 61.69 62.45 1cur s THR 71 Cb -0.25 -4.95 0.04 0.00 0.01 0.00 0.00 72.50 67.34 1cur s THR 71 CO 0.58 -1.87 1.51 -0.69 -0.69 0.00 0.00 174.62 173.46 1cur s VAL 72 N 5.55 3.85 -0.26 3.82 1.01 0.11 -1.04 120.40 133.44 1cur s VAL 72 Ca 0.39 -0.67 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 1cur s VAL 72 Cb -0.05 -4.92 -0.00 0.00 0.00 0.00 0.00 36.38 31.40 1cur s VAL 72 CO 0.07 -1.81 0.86 -1.81 0.00 0.00 0.00 175.10 172.41 1cur s ASP 73 N 5.33 6.84 -0.28 3.32 1.11 0.56 -0.49 116.67 133.07 1cur s ASP 73 Ca 0.49 1.01 -0.04 0.00 0.18 0.00 0.00 52.55 54.19 1cur s ASP 73 Cb -0.01 -2.45 0.02 0.00 1.07 0.00 0.00 42.92 41.55 1cur s ASP 73 CO -0.08 -0.57 0.02 -0.69 1.18 0.00 0.00 175.17 175.02 1cur s VAL 74 N 2.95 3.42 -0.42 -1.27 1.01 0.18 -0.51 120.40 125.76 1cur s VAL 74 Ca 0.36 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.35 1cur s VAL 74 Cb -0.15 -2.78 0.08 0.00 0.00 0.00 0.00 36.38 33.54 1cur s VAL 74 CO 0.08 0.10 0.25 -0.89 0.00 0.00 0.00 175.10 174.65 1cur s THR 75 N 1.40 4.11 0.68 3.92 2.01 0.23 -1.56 115.64 126.44 1cur s THR 75 Ca 0.01 -1.47 -0.11 0.00 0.31 0.00 0.00 61.69 60.42 1cur s THR 75 Cb -0.17 -3.55 -0.00 0.00 0.01 0.00 0.00 72.50 68.79 1cur s THR 75 CO -0.01 -0.52 1.07 -0.36 -0.69 0.00 0.00 174.62 174.11 1cur s PHE 76 N 1.39 3.39 -0.44 4.92 0.08 -1.08 -0.86 117.98 125.38 1cur s PHE 76 Ca 0.03 1.15 0.05 0.00 0.12 0.00 0.00 56.93 58.27 1cur s PHE 76 Cb -0.23 -2.95 0.18 0.00 -0.57 0.00 0.00 43.02 39.45 1cur s PHE 76 CO 0.01 -1.06 0.38 -0.89 -0.10 0.00 0.00 175.22 173.57 1cur n ILE 77 N -2.95 -0.82 -3.31 0.64 -0.00 0.43 -2.77 119.36 110.58 1cur n ILE 77 Ca 0.07 -3.66 -0.46 0.00 -0.00 0.00 0.00 62.75 58.69 1cur n ILE 77 Cb 0.56 -1.75 -0.04 0.00 -0.00 0.00 0.00 39.64 38.41 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 -0.27 6.39 -0.40 4.38 3.04 -0.90 -0.68 114.94 126.49 1cur s ASN 78 Ca 0.32 -2.10 0.10 0.00 0.04 0.00 0.00 52.86 51.22 1cur s ASN 78 Cb 0.05 -2.21 0.35 0.00 -1.54 0.00 0.00 41.25 37.89 1cur s ASN 78 CO -0.18 -0.76 0.89 0.41 -3.04 0.00 0.00 177.10 174.41 1cur n THR 79 N 4.81 -0.06 -1.73 -5.21 -1.04 -1.26 -4.40 114.28 105.39 1cur n THR 79 Ca -0.04 -3.37 -0.41 0.00 -2.04 0.00 0.00 64.05 58.18 1cur n THR 79 Cb 0.42 0.42 -0.01 0.00 -1.82 0.00 0.00 70.33 69.35 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 0.27 5.77 -0.91 8.00 4.05 -1.25 -4.49 115.26 126.70 1cur n ASN 80 Ca 0.17 -2.83 0.00 0.00 0.45 0.00 0.00 54.58 52.37 1cur n ASN 80 Cb 0.69 -1.58 0.00 0.00 1.23 0.00 0.00 39.78 40.12 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 4.69 0.00 0.00 1.20 5.02 -1.26 -0.51 118.16 127.30 1cur n LYS 81 Ca 0.58 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 1cur n LYS 81 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.34 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 -0.16 3.34 3.55 0.72 0.00 -1.26 -5.05 105.19 106.34 1cur n GLY 82 Ca 0.00 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 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 2.37 -1.20 1.61 0.08 0.33 -4.90 117.98 116.27 1cur s PHE 83 Ca 0.00 -0.37 -0.09 0.00 0.12 0.00 0.00 56.93 56.59 1cur s PHE 83 Cb 0.00 -4.64 -0.07 0.00 -0.57 0.00 0.00 43.02 37.74 1cur s PHE 83 CO 0.00 -2.02 2.42 0.41 -0.10 0.00 0.00 175.22 175.93 1cur n GLY 84 N 6.05 3.58 3.65 4.36 0.00 -1.26 -3.89 105.19 117.67 1cur n GLY 84 Ca 0.16 -1.17 -0.58 0.00 0.00 0.00 0.00 46.02 44.44 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 4.33 1.63 -2.40 1.61 8.25 -1.26 -4.32 115.22 123.06 1cur n HIS 85 Ca 0.58 0.75 -0.25 0.00 -0.26 0.00 0.00 57.72 58.53 1cur n HIS 85 Cb 0.20 -2.33 0.04 0.00 1.12 0.00 0.00 29.99 29.03 1cur n HIS 85 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1cur s SER 86 N 2.00 5.31 -0.17 0.41 1.04 -1.25 -4.74 113.70 116.30 1cur s SER 86 Ca 0.94 0.52 -0.02 0.00 0.48 0.00 0.00 55.95 57.87 1cur s SER 86 Cb -1.14 -1.40 0.05 0.00 0.10 0.00 0.00 66.02 63.63 1cur s SER 86 CO 0.61 -1.23 0.02 0.12 0.98 0.00 0.00 173.24 173.75 1cur s PHE 87 N -3.02 1.05 -0.07 5.02 2.19 -1.26 -4.09 117.98 117.80 1cur s PHE 87 Ca 0.56 -0.76 0.01 0.00 0.33 0.00 0.00 56.93 57.07 1cur s PHE 87 Cb -0.11 -1.02 0.02 0.00 -1.31 0.00 0.00 43.02 40.60 1cur s PHE 87 CO 0.44 -0.56 -0.08 -0.51 1.83 0.00 0.00 175.22 176.34 1cur s ASP 88 N 1.85 1.54 -0.21 6.13 1.11 0.50 -0.08 116.67 127.50 1cur s ASP 88 Ca 0.00 -0.23 -0.11 0.00 0.18 0.00 0.00 52.55 52.40 1cur s ASP 88 Cb -0.16 -0.67 -0.05 0.00 1.07 0.00 0.00 42.92 43.11 1cur s ASP 88 CO -0.07 -0.04 0.17 -0.63 1.18 0.00 0.00 175.17 175.78 1cur s ILE 89 N 1.01 5.37 0.00 0.77 1.01 0.54 -1.01 121.20 128.89 1cur s ILE 89 Ca -0.09 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.81 1cur s ILE 89 Cb -0.15 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.81 1cur s ILE 89 CO -0.00 0.39 0.00 1.07 0.00 0.00 0.00 174.94 176.40 1cur n THR 90 N 3.85 0.00 -1.77 2.92 5.66 0.06 -0.70 114.28 124.30 1cur n THR 90 Ca -0.15 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 60.90 1cur n THR 90 Cb 0.52 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 69.40 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 0.78 -2.24 1.09 5.02 -1.26 -0.23 118.16 121.31 1cur n LYS 91 Ca 0.00 -2.30 -0.36 0.00 -2.02 0.00 0.00 58.31 53.63 1cur n LYS 91 Cb 0.00 -0.95 -0.04 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.65 2.90 0.97 1.97 1.02 -1.26 -4.86 119.74 118.83 1cur s LYS 92 Ca 0.27 -0.17 -0.13 0.00 0.02 0.00 0.00 55.97 55.96 1cur s LYS 92 Cb 0.27 -4.75 0.17 0.00 -0.52 0.00 0.00 37.83 33.00 1cur s LYS 92 CO -0.05 -2.72 1.14 0.20 -0.92 0.00 0.00 175.35 172.99 1cur s GLY 93 N 6.63 1.58 0.58 -3.33 0.00 -1.26 -4.79 107.32 106.73 1cur s GLY 93 Ca 0.58 -0.58 -0.19 0.00 0.00 0.00 0.00 44.72 44.53 1cur s GLY 93 CO 0.07 0.04 1.17 2.56 0.00 0.00 0.00 173.10 176.95 1cur s PRO 94 N -5.26 3.12 0.07 2.90 0.04 -1.26 -3.83 135.00 130.77 1cur s PRO 94 Ca 0.66 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 63.12 1cur s PRO 94 Cb -0.14 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1cur s PRO 94 CO 0.55 -1.07 1.15 -1.25 0.04 0.00 0.00 177.00 176.42 1cur s PRO 95 N -3.33 4.47 0.36 0.56 0.04 -1.26 -5.14 135.00 130.70 1cur s PRO 95 Ca 0.75 1.71 -0.25 0.00 0.04 0.00 0.00 61.00 63.25 1cur s PRO 95 Cb -0.28 -3.36 -0.10 0.00 0.04 0.00 0.00 34.50 30.81 1cur s PRO 95 CO 0.31 -0.18 0.97 0.71 0.04 0.00 0.00 177.00 178.85 1cur s TYR 96 N 0.88 3.51 0.38 0.56 2.02 -1.25 -5.01 117.35 118.45 1cur s TYR 96 Ca 0.56 1.71 -0.25 0.00 -0.37 0.00 0.00 57.07 58.73 1cur s TYR 96 Cb -0.28 -2.96 -0.09 0.00 -0.40 0.00 0.00 41.96 38.22 1cur s TYR 96 CO 0.30 -0.07 1.03 0.00 -1.57 0.00 0.00 175.55 175.23 1cur s ALA 97 N -1.73 3.12 0.11 3.71 0.00 -1.26 -4.08 121.76 121.64 1cur s ALA 97 Ca 0.54 0.66 -0.15 0.00 0.00 0.00 0.00 51.96 53.01 1cur s ALA 97 Cb -0.18 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1cur s ALA 97 CO 0.23 -0.11 1.51 0.28 0.00 0.00 0.00 175.76 177.66 1cur h VAL 98 N 2.30 1.28 -3.91 0.00 2.07 -1.95 -3.36 116.25 112.69 1cur h VAL 98 Ca -0.48 -1.16 -0.47 0.00 0.82 0.00 0.00 66.70 65.41 1cur h VAL 98 Cb 1.21 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1cur h VAL 98 CO 0.63 0.38 0.36 -0.04 0.02 0.00 0.00 177.57 178.92 1cur s MET 99 N -4.76 4.48 -0.30 1.57 -1.94 -1.26 -0.38 119.30 116.71 1cur s MET 99 Ca -0.13 1.37 -0.25 0.00 -1.71 0.00 0.00 55.69 54.97 1cur s MET 99 Cb 0.09 -2.72 -0.26 0.00 2.01 0.00 0.00 34.83 33.95 1cur s MET 99 CO 0.80 0.17 1.68 -2.30 -0.01 0.00 0.00 175.02 175.36 1cur n PRO 100 N 0.37 0.59 -2.11 2.03 -0.02 -1.26 -4.81 135.00 129.79 1cur n PRO 100 Ca 0.03 -1.26 -0.41 0.00 -2.02 0.00 0.00 63.50 59.83 1cur n PRO 100 Cb 0.50 -2.60 -0.01 0.00 -0.02 0.00 0.00 33.50 31.37 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 6.40 3.43 -2.39 -1.45 0.31 -1.26 -4.87 118.33 118.50 1cur n VAL 101 Ca 0.44 -3.33 -0.37 0.00 -0.01 0.00 0.00 64.34 61.07 1cur n VAL 101 Cb 0.37 -2.43 -0.03 0.00 -0.91 0.00 0.00 33.84 30.84 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 4.48 3.82 0.73 2.52 -4.36 -1.26 -4.95 121.20 122.18 1cur s ILE 102 Ca 0.53 -1.00 -0.14 0.00 -0.26 0.00 0.00 60.65 59.78 1cur s ILE 102 Cb 0.08 -4.80 0.04 0.00 1.25 0.00 0.00 42.46 39.03 1cur s ILE 102 CO 0.02 -1.62 1.16 -1.81 0.24 0.00 0.00 174.94 172.94 1cur s ASP 103 N 5.65 4.36 -0.49 4.36 1.01 -1.26 -4.80 116.67 125.51 1cur s ASP 103 Ca 0.56 2.17 -0.44 0.00 0.71 0.00 0.00 52.55 55.55 1cur s ASP 103 Cb -0.00 -2.57 -0.19 0.00 1.01 0.00 0.00 42.92 41.17 1cur s ASP 103 CO -0.00 -2.14 1.97 -2.65 0.21 0.00 0.00 175.17 172.56 1cur n PRO 104 N -2.88 0.00 -2.68 8.23 -0.02 -1.26 -4.90 135.00 131.48 1cur n PRO 104 Ca 0.12 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.18 1cur n PRO 104 Cb 0.51 -1.47 -0.04 0.00 -0.02 0.00 0.00 33.50 32.49 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 5.16 4.59 0.00 4.25 -1.09 -1.26 -4.72 121.20 128.13 1cur s ILE 105 Ca 1.14 1.99 0.00 0.00 -2.23 0.00 0.00 60.65 61.55 1cur s ILE 105 Cb -1.47 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 35.14 1cur s ILE 105 CO 0.68 0.22 0.00 0.52 -1.23 0.00 0.00 174.94 175.14 1cur n VAL 106 N 3.37 0.00 -3.65 2.92 0.31 0.12 -4.97 118.33 116.44 1cur n VAL 106 Ca 0.05 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.12 1cur n VAL 106 Cb 0.50 -0.07 -0.03 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 -4.03 3.81 0.00 3.52 0.00 -1.22 -4.43 121.76 119.40 1cur s ALA 107 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1cur s ALA 107 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1cur s ALA 107 CO 0.00 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.49 1cur n GLY 108 N -0.96 -0.74 3.41 0.00 0.00 -1.20 -0.34 105.19 105.34 1cur n GLY 108 Ca -0.05 -1.05 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 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 2.24 0.00 2.61 -4.23 0.88 -2.94 115.64 112.20 1cur s THR 109 Ca 0.00 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 1cur s THR 109 Cb 0.00 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.76 1cur s THR 109 CO 0.00 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1cur n GLY 110 N 0.15 0.68 3.37 3.99 0.00 -0.22 -4.08 105.19 109.08 1cur n GLY 110 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 1.90 2.65 1.04 1.61 0.08 -1.26 -3.88 117.98 120.11 1cur s PHE 111 Ca 0.00 -0.52 -0.17 0.00 0.12 0.00 0.00 56.93 56.36 1cur s PHE 111 Cb 0.00 -1.69 0.22 0.00 -0.57 0.00 0.00 43.02 40.98 1cur s PHE 111 CO 0.00 -0.09 1.25 -1.54 -0.10 0.00 0.00 175.22 174.74 1cur s SER 112 N -0.17 2.45 0.00 1.36 1.04 -1.26 -4.93 113.70 112.19 1cur s SER 112 Ca -0.02 0.41 0.07 0.00 0.48 0.00 0.00 55.95 56.90 1cur s SER 112 Cb -0.14 -0.54 0.33 0.00 0.10 0.00 0.00 66.02 65.77 1cur s SER 112 CO 0.03 -3.16 1.12 -2.65 0.98 0.00 0.00 173.24 169.56 1cur n PRO 113 N -4.08 0.07 -3.64 4.02 -0.02 -1.26 -4.87 135.00 125.21 1cur n PRO 113 Ca 0.14 0.27 -0.24 0.00 -2.02 0.00 0.00 63.50 61.65 1cur n PRO 113 Cb 0.59 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 1cur n PRO 113 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1cur n VAL 114 N -1.35 -2.31 -0.31 -1.45 0.24 -1.26 -4.96 118.33 106.91 1cur n VAL 114 Ca 0.03 -0.13 -0.31 0.00 -2.04 0.00 0.00 64.34 61.89 1cur n VAL 114 Cb 0.06 -2.04 0.29 0.00 -1.47 0.00 0.00 33.84 30.69 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 -5.03 -3.09 0.07 7.34 0.02 -1.26 -4.28 135.00 128.77 1cur s PRO 115 Ca 0.11 0.16 0.01 0.00 0.02 0.00 0.00 61.00 61.30 1cur s PRO 115 Cb -0.06 -1.36 -0.00 0.00 0.02 0.00 0.00 34.50 33.10 1cur s PRO 115 CO 0.70 -4.98 0.07 1.63 -0.33 0.00 0.00 177.00 174.09 1cur n LYS 116 N -5.71 0.10 0.00 5.54 5.02 -1.26 -4.37 118.16 117.47 1cur n LYS 116 Ca 0.12 -0.65 0.00 0.00 -2.02 0.00 0.00 58.31 55.77 1cur n LYS 116 Cb 0.60 0.56 0.00 0.00 -0.02 0.00 0.00 35.03 36.17 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 -2.53 0.00 -0.28 4.39 2.03 -1.26 -1.39 116.55 117.50 1cur n ASP 117 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1cur n ASP 117 Cb 0.12 0.00 0.00 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 0.77 3.89 0.27 0.00 -1.26 -5.08 105.19 103.78 1cur n GLY 118 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 3.70 -0.24 1.61 1.02 -0.49 -1.15 119.74 124.19 1cur s LYS 119 Ca 0.00 0.32 -0.04 0.00 0.02 0.00 0.00 55.97 56.27 1cur s LYS 119 Cb 0.00 -2.44 0.08 0.00 -0.52 0.00 0.00 37.83 34.96 1cur s LYS 119 CO 0.00 -0.02 0.12 -0.06 -0.92 0.00 0.00 175.35 174.46 1cur s PHE 120 N -2.40 0.26 -0.37 3.18 0.08 0.53 -4.26 117.98 114.99 1cur s PHE 120 Ca 0.49 -0.64 -0.28 0.00 0.12 0.00 0.00 56.93 56.62 1cur s PHE 120 Cb -0.10 -0.81 -0.02 0.00 -0.57 0.00 0.00 43.02 41.51 1cur s PHE 120 CO 0.34 -0.70 1.86 0.20 -0.10 0.00 0.00 175.22 176.82 1cur s GLY 121 N 2.12 0.62 0.56 4.36 0.00 -1.26 -0.29 107.32 113.44 1cur s GLY 121 Ca 0.06 0.14 0.08 0.00 0.00 0.00 0.00 44.72 45.01 1cur s GLY 121 CO -0.26 3.37 0.66 -2.52 0.00 0.00 0.00 173.10 174.35 1cur s TYR 122 N 7.57 1.47 0.07 1.90 1.13 0.73 -2.12 117.35 128.11 1cur s TYR 122 Ca 0.80 -0.77 -0.11 0.00 -1.41 0.00 0.00 57.07 55.58 1cur s TYR 122 Cb -0.21 -2.10 0.01 0.00 -1.10 0.00 0.00 41.96 38.55 1cur s TYR 122 CO 0.31 -0.92 0.26 0.99 -2.51 0.00 0.00 175.55 173.68 1cur s THR 123 N -2.71 0.11 -0.37 -3.49 2.01 -1.11 -0.89 115.64 109.19 1cur s THR 123 Ca 0.52 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.64 1cur s THR 123 Cb -0.04 -1.13 0.15 0.00 0.01 0.00 0.00 72.50 71.48 1cur s THR 123 CO 0.33 -0.49 0.24 -1.81 -0.69 0.00 0.00 174.62 172.20 1cur s ASP 124 N -2.51 2.62 0.40 3.53 1.11 -0.15 -2.63 116.67 119.04 1cur s ASP 124 Ca 0.00 -2.42 0.08 0.00 0.18 0.00 0.00 52.55 50.38 1cur s ASP 124 Cb 0.02 -0.43 0.00 0.00 1.07 0.00 0.00 42.92 43.58 1cur s ASP 124 CO -0.08 -0.27 0.53 0.72 1.18 0.00 0.00 175.17 177.25 1cur s PHE 125 N 0.79 2.88 -0.04 4.23 -0.71 -0.60 -4.82 117.98 119.70 1cur s PHE 125 Ca 0.22 -0.36 -0.18 0.00 -1.04 0.00 0.00 56.93 55.56 1cur s PHE 125 Cb -0.16 -2.26 0.03 0.00 -1.21 0.00 0.00 43.02 39.42 1cur s PHE 125 CO -0.04 -0.29 0.39 0.99 -1.34 0.00 0.00 175.22 174.93 1cur s THR 126 N -2.32 0.04 -0.01 -4.49 2.01 -1.26 -0.65 115.64 108.97 1cur s THR 126 Ca 0.52 -0.33 -0.11 0.00 0.31 0.00 0.00 61.69 62.08 1cur s THR 126 Cb -0.09 -0.69 0.01 0.00 0.01 0.00 0.00 72.50 71.74 1cur s THR 126 CO 0.32 -0.18 0.23 0.86 -0.69 0.00 0.00 174.62 175.16 1cur s TRP 127 N -1.14 -0.08 -0.33 4.92 -0.00 0.36 -4.17 118.94 118.50 1cur s TRP 127 Ca -0.12 0.10 -0.03 0.00 -0.00 0.00 0.00 56.10 56.05 1cur s TRP 127 Cb -0.04 0.03 0.06 0.00 -0.00 0.00 0.00 33.47 33.52 1cur s TRP 127 CO 0.05 -0.33 0.06 -1.01 -0.00 0.00 0.00 176.95 175.72 1cur s HIS 128 N -1.28 3.32 0.17 5.86 3.76 -1.26 0.03 115.29 125.89 1cur s HIS 128 Ca -0.13 -1.84 -0.14 0.00 -0.15 0.00 0.00 55.06 52.79 1cur s HIS 128 Cb -0.06 -2.34 -0.07 0.00 1.11 0.00 0.00 32.58 31.22 1cur s HIS 128 CO 0.03 -0.81 0.57 -1.25 -0.85 0.00 0.00 174.74 172.43 1cur s PRO 129 N 1.27 3.98 0.34 8.40 0.04 -1.26 -4.86 135.00 142.92 1cur s PRO 129 Ca -0.02 0.50 -0.07 0.00 0.04 0.00 0.00 61.00 61.45 1cur s PRO 129 Cb -0.20 -2.87 -0.06 0.00 0.04 0.00 0.00 34.50 31.41 1cur s PRO 129 CO -0.01 0.44 0.65 0.95 0.04 0.00 0.00 177.00 179.07 1cur s THR 130 N -1.54 4.92 1.18 1.26 -4.23 -1.26 -0.77 115.64 115.20 1cur s THR 130 Ca 0.40 0.29 -0.13 0.00 -1.18 0.00 0.00 61.69 61.07 1cur s THR 130 Cb -0.14 -3.74 0.28 0.00 1.34 0.00 0.00 72.50 70.24 1cur s THR 130 CO 0.19 -0.43 0.94 0.00 -0.54 0.00 0.00 174.62 174.79 1cur n ALA 131 N -1.14 -3.05 0.00 3.99 0.00 -1.26 -4.73 120.51 114.32 1cur n ALA 131 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.24 1cur n ALA 131 Cb 0.54 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1cur n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cur n GLY 132 N 1.10 0.63 3.30 0.00 0.00 0.77 -4.87 105.19 106.12 1cur n GLY 132 Ca 0.03 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 0.02 0.29 2.61 2.01 -1.26 -0.72 115.64 118.60 1cur s THR 133 Ca 0.00 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 61.86 1cur s THR 133 Cb 0.00 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 1cur s THR 133 CO 0.00 -0.09 0.18 -0.31 -0.69 0.00 0.00 174.62 173.71 1cur s TYR 134 N -0.46 1.56 -0.01 4.92 1.51 0.48 -4.93 117.35 120.42 1cur s TYR 134 Ca -0.06 -1.45 0.02 0.00 -1.01 0.00 0.00 57.07 54.57 1cur s TYR 134 Cb -0.03 -0.77 -0.00 0.00 -0.11 0.00 0.00 41.96 41.04 1cur s TYR 134 CO 0.03 -0.63 -0.05 0.71 -1.11 0.00 0.00 175.55 174.49 1cur s TYR 135 N -3.66 0.50 -0.11 2.71 1.51 0.68 -0.44 117.35 118.54 1cur s TYR 135 Ca 0.37 -0.09 -0.05 0.00 -1.01 0.00 0.00 57.07 56.29 1cur s TYR 135 Cb 0.05 -0.33 -0.04 0.00 -0.11 0.00 0.00 41.96 41.52 1cur s TYR 135 CO 0.19 -0.02 0.07 1.52 -1.11 0.00 0.00 175.55 176.20 1cur s TYR 136 N -0.05 3.38 0.21 2.71 -0.85 0.02 -0.76 117.35 122.01 1cur s TYR 136 Ca 0.01 0.36 -0.08 0.00 -0.52 0.00 0.00 57.07 56.83 1cur s TYR 136 Cb -0.03 -1.88 -0.02 0.00 0.38 0.00 0.00 41.96 40.42 1cur s TYR 136 CO -0.00 0.59 0.32 0.14 -1.52 0.00 0.00 175.55 175.08 1cur s VAL 137 N -0.91 0.02 -0.11 -3.49 -7.23 -0.18 -2.31 120.40 106.19 1cur s VAL 137 Ca 0.14 -1.58 -0.03 0.00 -1.81 0.00 0.00 61.98 58.70 1cur s VAL 137 Cb -0.12 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1cur s VAL 137 CO 0.03 -0.09 0.02 0.00 -0.31 0.00 0.00 175.10 174.75 1cur h GLN 139 N 5.62 0.00 -6.61 0.00 4.20 -1.96 -3.34 115.11 113.01 1cur h GLN 139 Ca -0.46 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 57.70 1cur h GLN 139 Cb 1.19 0.00 0.06 0.00 0.30 0.00 0.00 27.48 29.03 1cur h GLN 139 CO 0.59 0.55 0.90 -0.89 -0.67 0.00 0.00 178.83 179.30 1cur n ILE 140 N -3.35 0.16 -1.43 2.54 5.41 -1.26 -4.56 119.36 116.88 1cur n ILE 140 Ca 0.01 -0.04 -0.44 0.00 1.00 0.00 0.00 62.75 63.28 1cur n ILE 140 Cb 0.70 -1.79 -0.01 0.00 -0.71 0.00 0.00 39.64 37.83 1cur n ILE 140 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1cur n PRO 141 N 3.46 0.42 0.00 0.38 -0.02 -1.26 -2.84 135.00 135.14 1cur n PRO 141 Ca 0.15 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1cur n PRO 141 Cb 0.33 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 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 1.87 0.83 0.21 -1.23 0.00 0.49 -4.77 105.19 102.59 1cur n GLY 142 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.10 -0.01 1.61 3.86 -1.82 0.18 115.15 118.86 1cur h HIS 143 Ca 0.00 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1cur h HIS 143 Cb 0.00 0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.60 1cur h HIS 143 CO 0.00 -0.16 0.01 0.00 0.86 0.00 0.00 177.93 178.63 1cur h ALA 144 N 1.51 0.02 -0.81 2.45 0.00 -1.74 0.18 119.26 120.86 1cur h ALA 144 Ca 0.28 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1cur h ALA 144 Cb 0.43 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1cur h ALA 144 CO -0.49 -0.43 0.52 0.00 0.00 0.00 0.00 179.25 178.85 1cur h ALA 145 N 0.90 1.08 0.22 0.00 0.00 -1.46 -3.21 119.26 116.78 1cur h ALA 145 Ca 0.01 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.59 1cur h ALA 145 Cb 0.11 -0.26 0.03 0.00 0.00 0.00 0.00 17.79 17.67 1cur h ALA 145 CO -0.00 0.32 -1.28 1.79 0.00 0.00 0.00 179.25 180.08 1cur h THR 146 N 1.00 1.35 0.00 0.00 1.35 -0.59 -3.45 112.91 112.57 1cur h THR 146 Ca 0.33 -2.64 0.00 0.00 -0.55 0.00 0.00 66.41 63.55 1cur h THR 146 Cb 0.04 3.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 1cur h THR 146 CO -0.12 0.78 0.00 0.61 -0.25 0.00 0.00 175.52 176.54 1cur n GLY 147 N 1.68 0.11 3.56 5.82 0.00 -0.10 -5.05 105.19 111.21 1cur n GLY 147 Ca -0.16 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.11 3.42 0.33 1.61 0.00 -0.34 -4.78 119.30 118.42 1cur s MET 148 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 55.69 54.84 1cur s MET 148 Cb 0.00 -4.87 0.04 0.00 0.00 0.00 0.00 34.83 30.00 1cur s MET 148 CO 0.00 -2.19 0.62 1.97 0.00 0.00 0.00 175.02 175.41 1cur n PHE 149 N 9.13 -1.99 0.00 3.16 1.16 -1.26 -3.59 117.46 124.07 1cur n PHE 149 Ca 0.21 -1.65 0.00 0.00 -1.87 0.00 0.00 57.45 54.14 1cur n PHE 149 Cb 0.50 0.72 0.00 0.00 -1.61 0.00 0.00 39.48 39.09 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 -0.46 1.90 3.88 4.97 0.00 -0.98 -4.61 105.19 109.90 1cur n GLY 150 Ca -0.06 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 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 3.64 -0.32 1.61 1.02 -1.25 -0.80 119.74 121.62 1cur s LYS 151 Ca 0.00 -0.02 0.03 0.00 0.02 0.00 0.00 55.97 56.00 1cur s LYS 151 Cb 0.00 -3.02 0.10 0.00 -0.52 0.00 0.00 37.83 34.39 1cur s LYS 151 CO 0.00 0.59 0.04 0.42 -0.92 0.00 0.00 175.35 175.49 1cur s ILE 152 N -1.39 1.99 -0.06 2.17 1.01 0.42 -0.52 121.20 124.82 1cur s ILE 152 Ca 0.31 -2.08 -0.20 0.00 0.00 0.00 0.00 60.65 58.68 1cur s ILE 152 Cb -0.13 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 1cur s ILE 152 CO 0.18 -0.55 0.57 -0.69 0.00 0.00 0.00 174.94 174.45 1cur s VAL 153 N 1.06 5.05 -0.11 2.92 1.01 0.58 -0.39 120.40 130.52 1cur s VAL 153 Ca 0.09 1.16 0.02 0.00 0.00 0.00 0.00 61.98 63.25 1cur s VAL 153 Cb -0.19 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.30 1cur s VAL 153 CO -0.11 0.35 -0.17 -0.69 0.00 0.00 0.00 175.10 174.48 1cur s VAL 154 N 0.30 1.64 0.00 2.92 1.01 0.11 -0.48 120.40 125.90 1cur s VAL 154 Ca 0.30 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1cur s VAL 154 Cb -0.17 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1cur s VAL 154 CO 0.15 0.47 0.00 0.29 0.00 0.00 0.00 175.10 176.00