#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 0.97 0.00 2.61 1.35 -2.02 -3.46 112.91 112.37 1cur h THR 2 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1cur h THR 2 Cb 0.00 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1cur h THR 2 CO 0.00 0.09 0.00 0.18 -0.25 0.00 0.00 175.52 175.54 1cur n LEU 3 N -5.08 0.00 -3.55 3.87 4.32 -1.26 -4.58 117.00 110.71 1cur n LEU 3 Ca -0.08 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.80 1cur n LEU 3 Cb 0.16 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.91 1cur n LEU 3 CO 0.33 0.00 0.71 -0.62 -1.22 0.00 0.00 177.39 176.59 1cur s ASP 4 N -4.00 -0.41 -0.03 -1.43 -1.08 -0.83 -4.49 116.67 104.39 1cur s ASP 4 Ca 0.00 0.34 0.10 0.00 -0.52 0.00 0.00 52.55 52.47 1cur s ASP 4 Cb 0.00 0.35 0.18 0.00 -1.46 0.00 0.00 42.92 41.99 1cur s ASP 4 CO 0.00 -0.45 1.08 0.35 0.52 0.00 0.00 175.17 176.67 1cur n THR 5 N 0.50 0.43 -1.47 1.71 -2.24 -1.26 -2.58 114.28 109.37 1cur n THR 5 Ca -0.11 -0.81 -0.40 0.00 -2.27 0.00 0.00 64.05 60.46 1cur n THR 5 Cb 0.59 0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.17 3.92 -3.04 4.28 -1.04 -1.26 -4.92 114.28 112.04 1cur n THR 6 Ca 0.05 -2.73 -0.40 0.00 -2.04 0.00 0.00 64.05 58.94 1cur n THR 6 Cb 0.80 -2.61 -0.05 0.00 -1.82 0.00 0.00 70.33 66.65 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 2.64 3.72 0.28 -1.42 0.23 -1.26 -3.00 118.94 120.13 1cur s TRP 7 Ca 0.60 1.39 -0.08 0.00 -2.03 0.00 0.00 56.10 55.98 1cur s TRP 7 Cb 0.16 -2.76 -0.00 0.00 0.03 0.00 0.00 33.47 30.90 1cur s TRP 7 CO -0.07 0.29 0.45 0.15 0.96 0.00 0.00 176.95 178.73 1cur s LYS 8 N -0.07 1.65 0.03 4.98 1.02 -0.54 -5.00 119.74 121.81 1cur s LYS 8 Ca 0.36 -1.47 0.01 0.00 0.02 0.00 0.00 55.97 54.89 1cur s LYS 8 Cb -0.20 0.44 -0.02 0.00 -0.52 0.00 0.00 37.83 37.53 1cur s LYS 8 CO 0.21 -0.68 -0.04 -1.21 -0.92 0.00 0.00 175.35 172.71 1cur s GLU 9 N -3.66 0.41 0.00 1.68 8.01 -1.26 -0.57 118.70 123.32 1cur s GLU 9 Ca 0.27 -0.72 0.00 0.00 0.01 0.00 0.00 54.97 54.52 1cur s GLU 9 Cb 0.00 -0.00 0.00 0.00 -4.31 0.00 0.00 34.13 29.82 1cur s GLU 9 CO 0.13 -0.03 0.00 0.00 0.01 0.00 0.00 175.26 175.37 1cur n ALA 10 N 1.38 0.00 -2.33 5.21 0.00 0.28 -4.91 120.51 120.14 1cur n ALA 10 Ca -0.22 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.03 1cur n ALA 10 Cb 0.56 0.00 -0.09 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 1.29 0.35 0.19 0.00 -4.23 -1.26 -0.15 115.64 111.83 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 -2.52 0.08 0.00 1.34 0.00 0.00 72.50 71.40 1cur s THR 11 CO 0.00 0.00 1.50 -0.11 -0.54 0.00 0.00 174.62 175.47 1cur n LEU 12 N -0.57 -0.83 -0.15 4.79 0.00 -1.21 -0.55 117.00 118.48 1cur n LEU 12 Ca 0.01 1.71 0.15 0.00 0.00 0.00 0.00 56.01 57.87 1cur n LEU 12 Cb 0.65 -0.31 0.50 0.00 0.00 0.00 0.00 43.42 44.26 1cur n LEU 12 CO 0.35 -1.46 1.21 1.55 0.00 0.00 0.00 177.39 179.03 1cur h PRO 13 N 0.00 0.41 0.00 1.96 0.13 -1.98 0.48 132.00 133.00 1cur h PRO 13 Ca 0.25 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.31 1cur h PRO 13 Cb 0.49 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 1cur h PRO 13 CO -0.94 0.27 -0.21 1.96 -0.23 0.00 0.00 178.00 178.85 1cur h GLN 14 N 0.42 0.00 -0.32 0.86 7.50 -1.23 -0.74 115.11 121.60 1cur h GLN 14 Ca 0.35 0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.51 1cur h GLN 14 Cb 0.78 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.29 1cur h GLN 14 CO -0.11 0.21 0.21 0.28 -1.50 0.00 0.00 178.83 177.92 1cur h VAL 15 N 0.00 1.07 0.01 -0.54 2.07 -0.82 0.14 116.25 118.19 1cur h VAL 15 Ca -0.00 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1cur h VAL 15 Cb 0.53 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1cur h VAL 15 CO 0.03 0.08 -0.01 0.11 0.02 0.00 0.00 177.57 177.80 1cur h LYS 16 N 0.42 -0.01 -0.53 1.57 6.56 -1.38 0.21 116.57 123.40 1cur h LYS 16 Ca 0.12 0.00 0.10 0.00 -1.06 0.00 0.00 60.65 59.81 1cur h LYS 16 Cb -0.04 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 31.54 1cur h LYS 16 CO -0.03 -0.00 0.01 0.00 -2.06 0.00 0.00 179.45 177.36 1cur h ALA 17 N 0.97 0.52 0.05 3.86 0.00 -0.77 0.10 119.26 123.99 1cur h ALA 17 Ca -0.00 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1cur h ALA 17 Cb 0.02 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1cur h ALA 17 CO 0.00 -0.38 -0.03 0.52 0.00 0.00 0.00 179.25 179.36 1cur h MET 18 N 0.13 -0.07 -0.89 0.00 2.86 -0.50 -2.96 114.93 113.51 1cur h MET 18 Ca 0.27 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 58.07 1cur h MET 18 Cb 0.42 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 32.00 1cur h MET 18 CO -0.44 0.09 0.48 -0.07 1.06 0.00 0.00 176.91 178.03 1cur h LEU 19 N -0.22 0.59 -2.30 1.22 3.38 -0.17 0.11 115.31 117.92 1cur h LEU 19 Ca -0.01 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1cur h LEU 19 Cb 0.19 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1cur h LEU 19 CO 0.01 0.24 0.20 -0.33 0.09 0.00 0.00 178.44 178.66 1cur h GLU 20 N 0.67 0.00 -0.67 1.13 5.08 -0.65 -0.18 114.58 119.96 1cur h GLU 20 Ca 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1cur h GLU 20 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1cur h GLU 20 CO -0.36 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.28 1cur n LYS 21 N -3.51 3.26 -0.08 2.33 5.02 0.37 -4.65 118.16 120.90 1cur n LYS 21 Ca 0.00 -2.77 -0.11 0.00 -2.02 0.00 0.00 58.31 53.42 1cur n LYS 21 Cb 0.30 -1.73 -0.04 0.00 -0.02 0.00 0.00 35.03 33.54 1cur n LYS 21 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1cur h ASP 22 N 4.08 0.40 0.00 4.39 -0.00 -0.93 -3.45 116.42 120.91 1cur h ASP 22 Ca 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 57.03 56.74 1cur h ASP 22 Cb 1.23 -0.11 0.00 0.00 -0.00 0.00 0.00 39.33 40.45 1cur h ASP 22 CO 0.12 0.59 0.00 0.35 -0.00 0.00 0.00 179.24 180.30 1cur n THR 23 N -4.66 0.00 -1.38 1.15 -2.24 -1.26 -4.62 114.28 101.26 1cur n THR 23 Ca -0.04 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1cur n THR 23 Cb 0.23 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1cur n THR 23 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cur n GLY 24 N 0.00 -3.09 3.66 3.38 0.00 -1.26 -4.98 105.19 102.90 1cur n GLY 24 Ca 0.00 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 1cur n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cur s LYS 25 N -1.36 4.26 0.58 1.61 1.02 0.71 -4.77 119.74 121.79 1cur s LYS 25 Ca -0.01 1.44 -0.20 0.00 0.02 0.00 0.00 55.97 57.22 1cur s LYS 25 Cb 0.00 -3.67 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 1cur s LYS 25 CO 0.04 -0.64 1.27 0.08 -0.92 0.00 0.00 175.35 175.18 1cur s VAL 26 N 3.22 2.36 -0.42 3.17 1.01 -1.26 -0.24 120.40 128.24 1cur s VAL 26 Ca 0.47 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.78 1cur s VAL 26 Cb -0.17 -3.11 0.30 0.00 0.00 0.00 0.00 36.38 33.40 1cur s VAL 26 CO 0.09 -0.03 0.81 -1.20 0.00 0.00 0.00 175.10 174.77 1cur n SER 27 N -1.38 -0.83 0.00 3.32 7.64 0.67 -4.80 113.62 118.24 1cur n SER 27 Ca 0.13 -3.17 0.00 0.00 1.01 0.00 0.00 58.87 56.83 1cur n SER 27 Cb 0.48 0.49 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 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 0.82 1.61 2.16 0.23 0.00 -1.26 -3.15 105.19 105.59 1cur n GLY 28 Ca 0.16 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 1cur n GLY 28 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cur n ASP 29 N 1.92 6.77 -3.56 1.61 4.64 -1.26 -4.70 116.55 121.97 1cur n ASP 29 Ca 0.00 -2.50 -0.16 0.00 -1.38 0.00 0.00 54.79 50.75 1cur n ASP 29 Cb 0.00 -1.46 -0.06 0.00 -1.04 0.00 0.00 41.12 38.56 1cur n ASP 29 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 1cur s THR 30 N 1.61 0.00 -0.05 5.18 2.01 -1.19 -4.29 115.64 118.91 1cur s THR 30 Ca 0.67 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.73 1cur s THR 30 Cb 0.25 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 1cur s THR 30 CO -0.03 0.00 -0.22 -0.69 -0.69 0.00 0.00 174.62 172.99 1cur s VAL 31 N -0.74 2.36 -0.18 3.82 1.01 0.22 -0.24 120.40 126.66 1cur s VAL 31 Ca -0.07 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1cur s VAL 31 Cb -0.01 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1cur s VAL 31 CO 0.06 0.58 -0.19 -0.89 0.00 0.00 0.00 175.10 174.66 1cur s THR 32 N -0.44 2.01 0.74 3.92 2.01 0.66 -0.63 115.64 123.91 1cur s THR 32 Ca 0.05 -0.96 -0.09 0.00 0.31 0.00 0.00 61.69 61.00 1cur s THR 32 Cb -0.12 -1.84 0.06 0.00 0.01 0.00 0.00 72.50 70.61 1cur s THR 32 CO 0.01 0.49 1.08 -0.31 -0.69 0.00 0.00 174.62 175.20 1cur s TYR 33 N 1.30 2.97 0.00 4.92 1.51 0.01 -0.21 117.35 127.85 1cur s TYR 33 Ca 0.04 0.60 -0.25 0.00 -1.01 0.00 0.00 57.07 56.46 1cur s TYR 33 Cb -0.14 -3.28 0.06 0.00 -0.11 0.00 0.00 41.96 38.49 1cur s TYR 33 CO -0.12 -1.51 0.55 -1.12 -1.11 0.00 0.00 175.55 172.24 1cur s SER 34 N -4.52 -0.49 0.02 2.29 0.01 -1.26 -4.69 113.70 105.05 1cur s SER 34 Ca 0.60 0.38 0.00 0.00 1.31 0.00 0.00 55.95 58.24 1cur s SER 34 Cb -0.11 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.61 1cur s SER 34 CO 0.47 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1cur n GLY 35 N 0.73 -2.17 0.08 3.44 0.00 -1.26 -4.74 105.19 101.27 1cur n GLY 35 Ca -0.19 -1.47 -0.04 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.05 0.00 -5.33 1.61 1.57 -1.96 -3.40 116.57 109.02 1cur h LYS 36 Ca -0.00 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 58.08 1cur h LYS 36 Cb 0.04 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.27 1cur h LYS 36 CO 0.00 0.73 2.25 0.25 -0.57 0.00 0.00 179.45 182.11 1cur n THR 37 N -3.22 3.92 -2.19 -0.16 -2.24 -1.26 -0.02 114.28 109.11 1cur n THR 37 Ca -0.04 -4.02 -0.43 0.00 -2.27 0.00 0.00 64.05 57.30 1cur n THR 37 Cb 0.90 -2.41 0.00 0.00 -2.10 0.00 0.00 70.33 66.73 1cur n THR 37 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1cur n VAL 38 N 5.84 3.72 -2.59 2.28 0.31 0.00 -4.90 118.33 123.00 1cur n VAL 38 Ca 0.48 -3.61 -0.41 0.00 -0.01 0.00 0.00 64.34 60.78 1cur n VAL 38 Cb 0.44 -2.47 -0.03 0.00 -0.91 0.00 0.00 33.84 30.87 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 3.73 2.50 -0.61 3.52 2.46 -1.26 -0.48 115.29 125.16 1cur s HIS 39 Ca 0.51 -0.64 -0.23 0.00 0.47 0.00 0.00 55.06 55.17 1cur s HIS 39 Cb 0.09 -4.64 0.06 0.00 -0.13 0.00 0.00 32.58 27.96 1cur s HIS 39 CO 0.00 -1.94 0.91 0.08 -2.47 0.00 0.00 174.74 171.32 1cur s VAL 40 N 5.02 4.42 -1.03 0.89 1.01 0.11 -4.57 120.40 126.26 1cur s VAL 40 Ca 0.41 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.98 1cur s VAL 40 Cb -0.03 -4.59 0.09 0.00 0.00 0.00 0.00 36.38 31.85 1cur s VAL 40 CO -0.02 -1.27 1.37 -0.69 0.00 0.00 0.00 175.10 174.49 1cur s VAL 41 N 3.81 4.28 0.39 2.92 1.01 -1.26 -0.28 120.40 131.27 1cur s VAL 41 Ca 0.23 -1.26 0.03 0.00 0.00 0.00 0.00 61.98 60.98 1cur s VAL 41 Cb -0.16 -4.97 -0.01 0.00 0.00 0.00 0.00 36.38 31.24 1cur s VAL 41 CO 0.13 -1.79 0.58 0.00 0.00 0.00 0.00 175.10 174.02 1cur s ALA 42 N 3.94 3.93 0.27 5.51 0.00 0.40 -1.78 121.76 134.03 1cur s ALA 42 Ca 0.42 -1.20 -0.21 0.00 0.00 0.00 0.00 51.96 50.97 1cur s ALA 42 Cb -0.01 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.18 1cur s ALA 42 CO -0.07 -0.20 0.70 0.00 0.00 0.00 0.00 175.76 176.18 1cur s ALA 43 N -2.37 -1.20 -0.02 0.00 0.00 0.16 -0.05 121.76 118.28 1cur s ALA 43 Ca 0.46 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 1cur s ALA 43 Cb -0.10 0.86 0.02 0.00 0.00 0.00 0.00 23.12 23.91 1cur s ALA 43 CO 0.35 -1.01 0.04 0.00 0.00 0.00 0.00 175.76 175.14 1cur s ALA 44 N -3.91 0.00 -0.22 0.00 0.00 -1.19 -0.68 121.76 115.76 1cur s ALA 44 Ca 0.11 0.29 -0.03 0.00 0.00 0.00 0.00 51.96 52.32 1cur s ALA 44 Cb -0.05 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1cur s ALA 44 CO 0.06 -0.09 0.19 0.28 0.00 0.00 0.00 175.76 176.20 1cur n VAL 45 N 3.89 -1.04 -2.66 0.00 0.31 -1.18 -4.06 118.33 113.58 1cur n VAL 45 Ca -0.24 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.75 1cur n VAL 45 Cb 0.53 -0.93 -0.05 0.00 -0.91 0.00 0.00 33.84 32.48 1cur n VAL 45 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1cur s LEU 46 N -2.33 4.01 -0.26 7.52 1.43 -1.26 -4.07 118.68 123.72 1cur s LEU 46 Ca 0.03 1.87 -0.32 0.00 -1.03 0.00 0.00 54.13 54.68 1cur s LEU 46 Cb -0.00 -4.39 -0.09 0.00 0.03 0.00 0.00 46.19 41.74 1cur s LEU 46 CO 0.27 -0.48 2.17 -0.81 0.23 0.00 0.00 176.35 177.73 1cur n PRO 47 N -0.44 1.58 0.00 1.29 -0.04 -1.26 -0.65 135.00 135.47 1cur n PRO 47 Ca 0.07 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 1cur n PRO 47 Cb 0.52 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 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 5.97 3.99 3.68 0.55 0.00 -1.26 -5.10 105.19 113.02 1cur n GLY 48 Ca 0.34 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 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 3.43 0.98 1.61 0.40 0.17 -5.06 117.98 119.51 1cur s PHE 49 Ca 0.00 1.05 -0.11 0.00 -0.60 0.00 0.00 56.93 57.27 1cur s PHE 49 Cb 0.00 -2.83 0.17 0.00 0.51 0.00 0.00 43.02 40.87 1cur s PHE 49 CO 0.00 -0.12 1.03 -2.30 0.70 0.00 0.00 175.22 174.53 1cur n PRO 50 N 4.77 -0.87 -0.74 0.24 -0.02 -1.26 -4.45 135.00 132.67 1cur n PRO 50 Ca -0.01 -0.20 -0.30 0.00 -2.02 0.00 0.00 63.50 60.98 1cur n PRO 50 Cb 0.50 -2.27 0.19 0.00 -0.02 0.00 0.00 33.50 31.90 1cur n PRO 50 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1cur s PHE 51 N -2.56 1.66 -0.27 6.00 0.40 -1.26 -4.54 117.98 117.41 1cur s PHE 51 Ca 0.66 1.45 0.07 0.00 -0.60 0.00 0.00 56.93 58.51 1cur s PHE 51 Cb -0.23 -3.20 -0.08 0.00 0.51 0.00 0.00 43.02 40.01 1cur s PHE 51 CO 0.60 -3.14 0.27 -0.35 0.70 0.00 0.00 175.22 173.31 1cur n PRO 52 N -4.43 3.85 -1.45 0.24 -0.04 -1.26 -5.14 135.00 126.78 1cur n PRO 52 Ca 0.07 -0.01 -0.44 0.00 -0.04 0.00 0.00 63.50 63.08 1cur n PRO 52 Cb 0.53 -0.89 -0.01 0.00 -0.04 0.00 0.00 33.50 33.10 1cur n PRO 52 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1cur n SER 53 N -1.28 -0.83 -4.71 3.54 3.41 -1.24 -4.61 113.62 107.90 1cur n SER 53 Ca 0.01 1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 59.19 1cur n SER 53 Cb 0.12 -1.08 -0.03 0.00 -0.26 0.00 0.00 64.21 62.97 1cur n SER 53 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1cur s PHE 54 N -1.31 3.51 -0.16 7.33 0.08 -1.26 -3.13 117.98 123.04 1cur s PHE 54 Ca 0.62 1.49 -0.06 0.00 0.12 0.00 0.00 56.93 59.09 1cur s PHE 54 Cb -0.70 -3.27 -0.04 0.00 -0.57 0.00 0.00 43.02 38.44 1cur s PHE 54 CO 0.59 -0.65 0.05 -1.21 -0.10 0.00 0.00 175.22 173.89 1cur s GLU 55 N 1.24 3.74 -0.03 0.44 2.02 0.14 -0.44 118.70 125.81 1cur s GLU 55 Ca 0.55 -0.35 -0.01 0.00 0.02 0.00 0.00 54.97 55.18 1cur s GLU 55 Cb -0.24 -3.12 0.03 0.00 0.10 0.00 0.00 34.13 30.90 1cur s GLU 55 CO 0.27 0.39 0.05 0.08 0.02 0.00 0.00 175.26 176.07 1cur s VAL 56 N 0.03 -0.08 0.00 2.63 1.01 -0.29 0.41 120.40 124.11 1cur s VAL 56 Ca 0.05 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1cur s VAL 56 Cb -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1cur s VAL 56 CO 0.01 0.15 0.00 0.00 0.00 0.00 0.00 175.10 175.26 1cur n HIS 57 N 4.89 0.00 0.00 5.22 1.44 -0.73 -0.40 115.22 125.63 1cur n HIS 57 Ca -0.12 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.59 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 0.00 0.00 -1.05 4.39 -0.08 -1.26 -4.96 116.55 113.59 1cur n ASP 58 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1cur n ASP 58 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 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 -0.40 0.36 -4.00 -0.67 4.76 0.46 -5.16 118.16 113.52 1cur n LYS 59 Ca 0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 1cur n LYS 59 Cb 0.00 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.04 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 -1.69 0.31 -1.64 1.97 1.02 -1.26 -1.14 119.74 117.31 1cur s LYS 60 Ca 0.00 -0.03 -0.16 0.00 0.02 0.00 0.00 55.97 55.80 1cur s LYS 60 Cb 0.00 -0.38 0.13 0.00 -0.52 0.00 0.00 37.83 37.06 1cur s LYS 60 CO 0.00 -0.03 0.83 0.09 -0.92 0.00 0.00 175.35 175.32 1cur n ASN 61 N 3.57 -3.63 -4.80 2.83 5.03 0.41 -4.89 115.26 113.78 1cur n ASN 61 Ca -0.20 -0.94 -0.31 0.00 0.87 0.00 0.00 54.58 54.00 1cur n ASN 61 Cb 0.55 -3.12 0.06 0.00 -1.02 0.00 0.00 39.78 36.25 1cur n ASN 61 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1cur s PRO 62 N -6.82 2.74 -0.20 3.52 0.04 -1.26 -4.62 135.00 128.40 1cur s PRO 62 Ca 0.68 1.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 1cur s PRO 62 Cb -0.36 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1cur s PRO 62 CO 0.90 -1.26 1.01 0.99 0.04 0.00 0.00 177.00 178.68 1cur s THR 63 N -2.96 4.72 -0.28 1.26 2.01 -1.26 -3.96 115.64 115.16 1cur s THR 63 Ca 0.59 1.98 -0.09 0.00 0.31 0.00 0.00 61.69 64.48 1cur s THR 63 Cb -0.15 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.05 1cur s THR 63 CO 0.54 -0.13 0.13 -0.76 -0.69 0.00 0.00 174.62 173.72 1cur s LEU 64 N 2.89 3.88 -0.26 4.42 1.02 -0.04 -0.61 118.68 129.98 1cur s LEU 64 Ca 0.44 -0.32 -0.17 0.00 0.02 0.00 0.00 54.13 54.10 1cur s LEU 64 Cb -0.16 -2.00 -0.03 0.00 0.02 0.00 0.00 46.19 44.02 1cur s LEU 64 CO 0.09 -0.11 0.47 -1.61 0.02 0.00 0.00 176.35 175.21 1cur s GLU 65 N 1.65 4.06 -0.02 1.70 0.41 0.20 -0.35 118.70 126.34 1cur s GLU 65 Ca 0.06 0.24 0.07 0.00 -0.41 0.00 0.00 54.97 54.93 1cur s GLU 65 Cb -0.16 -3.65 -0.02 0.00 -1.78 0.00 0.00 34.13 28.52 1cur s GLU 65 CO 0.06 -0.32 -0.23 0.42 -0.49 0.00 0.00 175.26 174.70 1cur s ILE 66 N 2.22 1.81 -0.27 -1.63 1.01 0.51 -0.81 121.20 124.04 1cur s ILE 66 Ca 0.19 -0.98 -0.29 0.00 0.00 0.00 0.00 60.65 59.57 1cur s ILE 66 Cb -0.16 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.81 1cur s ILE 66 CO 0.09 0.51 1.26 -2.16 0.00 0.00 0.00 174.94 174.65 1cur s PRO 67 N -0.51 4.00 0.27 2.79 0.04 -1.26 -0.90 135.00 139.43 1cur s PRO 67 Ca 0.08 1.31 -0.28 0.00 0.04 0.00 0.00 61.00 62.14 1cur s PRO 67 Cb -0.09 -3.83 -0.14 0.00 0.04 0.00 0.00 34.50 30.47 1cur s PRO 67 CO -0.01 -1.00 0.96 0.00 0.04 0.00 0.00 177.00 176.99 1cur n ALA 68 N 7.31 -0.58 -0.02 8.56 0.00 0.42 -1.84 120.51 134.36 1cur n ALA 68 Ca 0.14 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1cur n ALA 68 Cb 0.46 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 1.37 2.85 3.71 0.00 0.00 -0.01 -5.00 105.19 108.10 1cur n GLY 69 Ca 0.11 0.00 -0.32 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 s ALA 70 N -2.95 1.85 -0.66 4.61 0.00 -0.77 -4.84 121.76 119.00 1cur s ALA 70 Ca 0.00 0.67 -0.25 0.00 0.00 0.00 0.00 51.96 52.38 1cur s ALA 70 Cb 0.00 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.73 1cur s ALA 70 CO 0.00 -2.26 1.11 0.99 0.00 0.00 0.00 175.76 175.60 1cur s THR 71 N -2.40 4.06 -0.74 0.00 2.01 0.98 -4.20 115.64 115.34 1cur s THR 71 Ca 0.69 0.19 -0.27 0.00 0.31 0.00 0.00 61.69 62.62 1cur s THR 71 Cb -0.25 -4.76 0.03 0.00 0.01 0.00 0.00 72.50 67.53 1cur s THR 71 CO 0.52 -1.54 1.30 -0.69 -0.69 0.00 0.00 174.62 173.52 1cur s VAL 72 N 4.80 3.71 -0.66 3.82 1.01 0.84 -0.82 120.40 133.12 1cur s VAL 72 Ca 0.31 0.38 -0.17 0.00 0.00 0.00 0.00 61.98 62.50 1cur s VAL 72 Cb -0.12 -4.89 0.14 0.00 0.00 0.00 0.00 36.38 31.51 1cur s VAL 72 CO 0.15 -1.83 0.70 -1.81 0.00 0.00 0.00 175.10 172.32 1cur s ASP 73 N 3.92 6.34 -0.53 3.32 1.01 0.37 -0.31 116.67 130.79 1cur s ASP 73 Ca 0.36 -1.82 -0.29 0.00 0.71 0.00 0.00 52.55 51.51 1cur s ASP 73 Cb -0.08 -2.27 0.03 0.00 1.01 0.00 0.00 42.92 41.61 1cur s ASP 73 CO 0.15 -0.94 1.17 -0.69 0.21 0.00 0.00 175.17 175.06 1cur s VAL 74 N 1.93 4.11 -0.64 -1.27 1.01 0.50 -0.71 120.40 125.32 1cur s VAL 74 Ca 0.13 1.06 -0.15 0.00 0.00 0.00 0.00 61.98 63.01 1cur s VAL 74 Cb -0.21 -4.67 0.16 0.00 0.00 0.00 0.00 36.38 31.66 1cur s VAL 74 CO 0.01 -1.19 0.60 -0.89 0.00 0.00 0.00 175.10 173.63 1cur s THR 75 N 4.72 5.32 0.40 3.92 2.01 0.61 -1.46 115.64 131.17 1cur s THR 75 Ca 0.45 -1.80 -0.23 0.00 0.31 0.00 0.00 61.69 60.43 1cur s THR 75 Cb -0.07 -4.39 -0.10 0.00 0.01 0.00 0.00 72.50 67.94 1cur s THR 75 CO 0.29 -0.94 0.96 -0.36 -0.69 0.00 0.00 174.62 173.88 1cur s PHE 76 N 1.19 3.39 -0.60 4.92 0.08 0.40 -0.45 117.98 126.90 1cur s PHE 76 Ca 0.08 1.66 0.05 0.00 0.12 0.00 0.00 56.93 58.84 1cur s PHE 76 Cb -0.23 -2.91 0.17 0.00 -0.57 0.00 0.00 43.02 39.49 1cur s PHE 76 CO -0.01 -0.11 0.46 -0.89 -0.10 0.00 0.00 175.22 174.57 1cur n ILE 77 N -0.28 0.68 -3.36 0.64 -0.00 0.93 -1.98 119.36 115.99 1cur n ILE 77 Ca 0.06 -4.39 -0.45 0.00 -0.00 0.00 0.00 62.75 57.97 1cur n ILE 77 Cb 0.52 -2.00 -0.07 0.00 -0.00 0.00 0.00 39.64 38.09 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 -1.01 6.16 -0.27 4.38 2.47 -0.77 -3.18 114.94 122.72 1cur s ASN 78 Ca 0.28 -1.34 0.09 0.00 0.42 0.00 0.00 52.86 52.32 1cur s ASN 78 Cb -0.00 -2.20 0.46 0.00 -1.45 0.00 0.00 41.25 38.06 1cur s ASN 78 CO -0.17 -0.69 1.19 0.41 -3.72 0.00 0.00 177.10 174.12 1cur n THR 79 N 5.24 2.36 -1.91 -5.21 -1.04 -1.26 -4.13 114.28 108.33 1cur n THR 79 Ca -0.12 -3.94 -0.42 0.00 -2.04 0.00 0.00 64.05 57.53 1cur n THR 79 Cb 0.43 -0.80 -0.01 0.00 -1.82 0.00 0.00 70.33 68.14 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 -0.74 3.96 -0.00 8.00 4.05 -1.26 -4.62 115.26 124.65 1cur n ASN 80 Ca 0.37 -2.84 0.00 0.00 0.45 0.00 0.00 54.58 52.57 1cur n ASN 80 Cb 0.92 -1.63 0.00 0.00 1.23 0.00 0.00 39.78 40.30 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 6.94 0.00 0.00 1.20 5.02 -1.25 -0.33 118.16 129.74 1cur n LYS 81 Ca 0.51 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1cur n LYS 81 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 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 0.01 2.28 3.54 0.72 0.00 -1.09 -4.94 105.19 105.70 1cur n GLY 82 Ca 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.76 2.72 -0.65 1.61 0.40 0.55 -4.90 117.98 116.95 1cur s PHE 83 Ca 0.00 -1.12 -0.10 0.00 -0.60 0.00 0.00 56.93 55.11 1cur s PHE 83 Cb 0.00 -4.61 -0.09 0.00 0.51 0.00 0.00 43.02 38.83 1cur s PHE 83 CO 0.00 -1.81 1.83 0.41 0.70 0.00 0.00 175.22 176.35 1cur n GLY 84 N 6.28 2.55 3.69 4.36 0.00 -1.26 -4.56 105.19 116.26 1cur n GLY 84 Ca 0.34 -0.80 -0.53 0.00 0.00 0.00 0.00 46.02 45.03 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 5.44 2.15 -1.61 1.61 8.25 -1.26 -2.80 115.22 127.00 1cur n HIS 85 Ca 0.38 0.31 -0.30 0.00 -0.26 0.00 0.00 57.72 57.85 1cur n HIS 85 Cb 0.19 -2.54 0.09 0.00 1.12 0.00 0.00 29.99 28.85 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 3.57 4.59 -0.27 0.41 1.04 -1.26 -4.05 113.70 117.73 1cur s SER 86 Ca 0.95 1.25 -0.02 0.00 0.48 0.00 0.00 55.95 58.61 1cur s SER 86 Cb -0.90 -1.98 0.09 0.00 0.10 0.00 0.00 66.02 63.32 1cur s SER 86 CO 0.59 -1.90 0.08 0.12 0.98 0.00 0.00 173.24 173.10 1cur s PHE 87 N -3.20 1.42 -0.05 5.02 2.19 -1.20 -4.09 117.98 118.06 1cur s PHE 87 Ca 0.61 -1.41 0.06 0.00 0.33 0.00 0.00 56.93 56.52 1cur s PHE 87 Cb -0.14 -1.43 -0.02 0.00 -1.31 0.00 0.00 43.02 40.12 1cur s PHE 87 CO 0.54 -0.79 -0.22 -0.51 1.83 0.00 0.00 175.22 176.06 1cur s ASP 88 N 1.72 3.33 -0.11 6.13 -0.00 0.39 -0.34 116.67 127.77 1cur s ASP 88 Ca 0.06 -0.42 -0.01 0.00 -0.00 0.00 0.00 52.55 52.17 1cur s ASP 88 Cb -0.17 -0.74 -0.03 0.00 -0.00 0.00 0.00 42.92 41.98 1cur s ASP 88 CO -0.21 0.28 -0.06 -0.63 -0.00 0.00 0.00 175.17 174.56 1cur s ILE 89 N -0.38 3.76 0.00 0.77 1.01 0.70 -0.54 121.20 126.51 1cur s ILE 89 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1cur s ILE 89 Cb -0.12 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.76 1cur s ILE 89 CO 0.02 0.55 0.00 1.07 0.00 0.00 0.00 174.94 176.57 1cur n THR 90 N 2.90 0.00 -0.48 2.92 5.66 0.09 -0.80 114.28 124.57 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 0.87 -1.11 1.09 5.02 -1.26 -0.01 118.16 122.75 1cur n LYS 91 Ca 0.00 -0.77 -0.31 0.00 -2.02 0.00 0.00 58.31 55.21 1cur n LYS 91 Cb 0.00 -0.76 0.12 0.00 -0.02 0.00 0.00 35.03 34.37 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 -0.35 1.81 0.25 1.97 1.02 -1.26 -4.81 119.74 118.37 1cur s LYS 92 Ca 0.00 1.21 0.06 0.00 0.02 0.00 0.00 55.97 57.27 1cur s LYS 92 Cb 0.00 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 1cur s LYS 92 CO 0.00 -1.97 0.25 0.20 -0.92 0.00 0.00 175.35 172.91 1cur s GLY 93 N -3.22 1.35 0.72 -3.33 0.00 -1.26 -4.64 107.32 96.94 1cur s GLY 93 Ca 0.63 -1.36 -0.11 0.00 0.00 0.00 0.00 44.72 43.87 1cur s GLY 93 CO 0.57 -1.40 1.07 2.56 0.00 0.00 0.00 173.10 175.90 1cur s PRO 94 N -3.89 2.70 0.13 2.90 0.04 -1.26 -4.20 135.00 131.42 1cur s PRO 94 Ca 0.33 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 1cur s PRO 94 Cb -0.08 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 1cur s PRO 94 CO 0.26 -1.29 1.00 -1.25 0.04 0.00 0.00 177.00 175.76 1cur s PRO 95 N -4.90 4.67 -0.08 0.56 0.04 -1.26 -5.06 135.00 128.97 1cur s PRO 95 Ca 0.60 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1cur s PRO 95 Cb -0.16 -3.35 0.10 0.00 0.04 0.00 0.00 34.50 31.13 1cur s PRO 95 CO 0.54 0.17 1.26 0.66 0.04 0.00 0.00 177.00 179.67 1cur n TYR 96 N 2.71 0.49 -0.77 0.56 4.01 -0.27 -4.88 117.16 119.01 1cur n TYR 96 Ca 0.03 -0.79 0.05 0.00 -0.16 0.00 0.00 57.90 57.03 1cur n TYR 96 Cb 0.48 -0.40 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 1cur n TYR 96 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1cur n ALA 97 N 0.36 -1.67 -0.07 -0.72 0.00 -1.26 -3.81 120.51 113.34 1cur n ALA 97 Ca 0.09 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.81 1cur n ALA 97 Cb 0.66 -0.89 -0.05 0.00 0.00 0.00 0.00 19.45 19.17 1cur n ALA 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1cur h VAL 98 N -0.40 1.27 -4.36 0.00 2.07 -1.91 -3.21 116.25 109.71 1cur h VAL 98 Ca -0.06 -0.98 -0.51 0.00 0.82 0.00 0.00 66.70 65.97 1cur h VAL 98 Cb 0.63 1.49 0.07 0.00 -1.52 0.00 0.00 31.29 31.96 1cur h VAL 98 CO 0.02 0.30 0.41 -0.04 0.02 0.00 0.00 177.57 178.28 1cur s MET 99 N -4.84 3.44 -0.76 1.57 -1.94 -1.26 -0.33 119.30 115.19 1cur s MET 99 Ca -0.14 0.79 -0.05 0.00 -1.71 0.00 0.00 55.69 54.58 1cur s MET 99 Cb 0.07 -2.06 -0.05 0.00 2.01 0.00 0.00 34.83 34.79 1cur s MET 99 CO 0.74 -0.69 2.02 -2.30 -0.01 0.00 0.00 175.02 174.78 1cur n PRO 100 N -2.84 1.82 -1.32 2.03 -0.02 -1.26 -4.72 135.00 128.69 1cur n PRO 100 Ca 0.06 -1.30 -0.29 0.00 -2.02 0.00 0.00 63.50 59.96 1cur n PRO 100 Cb 0.54 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.59 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 4.14 3.93 0.13 -1.45 0.31 -1.25 -4.41 118.33 119.72 1cur n VAL 101 Ca 0.39 -2.51 -0.22 0.00 -0.01 0.00 0.00 64.34 61.98 1cur n VAL 101 Cb 0.15 -2.24 -0.15 0.00 -0.91 0.00 0.00 33.84 30.68 1cur n VAL 101 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1cur h ILE 102 N 2.52 1.28 -3.54 2.52 -2.65 -1.85 -3.45 117.51 112.34 1cur h ILE 102 Ca 0.59 -2.77 -0.57 0.00 1.03 0.00 0.00 64.86 63.14 1cur h ILE 102 Cb 0.73 2.98 0.15 0.00 -2.05 0.00 0.00 36.82 38.62 1cur h ILE 102 CO 1.15 0.83 0.23 0.47 0.03 0.00 0.00 178.15 180.87 1cur n ASP 103 N -3.65 1.29 -4.79 2.16 8.00 -1.26 -4.47 116.55 113.83 1cur n ASP 103 Ca -0.16 0.90 -0.34 0.00 0.71 0.00 0.00 54.79 55.90 1cur n ASP 103 Cb 1.08 -1.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.74 1cur n ASP 103 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1cur s PRO 104 N -2.59 3.70 -0.01 -0.24 0.04 -1.26 -5.09 135.00 129.54 1cur s PRO 104 Ca 0.72 1.39 0.02 0.00 0.04 0.00 0.00 61.00 63.16 1cur s PRO 104 Cb -0.45 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 1cur s PRO 104 CO 0.50 -0.52 -0.04 0.42 0.04 0.00 0.00 177.00 177.40 1cur s ILE 105 N -1.99 3.89 0.00 0.56 -1.09 -1.26 -4.77 121.20 116.55 1cur s ILE 105 Ca 0.68 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 58.45 1cur s ILE 105 Cb -0.17 -2.69 0.00 0.00 -1.58 0.00 0.00 42.46 38.01 1cur s ILE 105 CO 0.22 0.42 0.00 0.52 -1.23 0.00 0.00 174.94 174.87 1cur n VAL 106 N 1.60 0.00 -3.51 2.92 0.31 0.02 -5.01 118.33 114.67 1cur n VAL 106 Ca -0.16 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 63.91 1cur n VAL 106 Cb 0.53 -0.31 -0.02 0.00 -0.91 0.00 0.00 33.84 33.12 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 3.73 0.00 3.52 0.00 -1.20 -4.97 121.76 118.81 1cur s ALA 107 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1cur s ALA 107 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 21.01 1cur s ALA 107 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.40 1cur n GLY 108 N -1.12 0.09 3.21 0.00 0.00 -1.26 -0.22 105.19 105.90 1cur n GLY 108 Ca -0.04 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 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 1.73 0.00 2.61 -4.23 0.53 -1.97 115.64 112.31 1cur s THR 109 Ca 0.00 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1cur s THR 109 Cb 0.00 -1.46 0.00 0.00 1.34 0.00 0.00 72.50 72.38 1cur s THR 109 CO 0.00 0.49 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 1cur n GLY 110 N 2.86 -1.92 3.65 3.99 0.00 -1.07 -3.23 105.19 109.47 1cur n GLY 110 Ca -0.17 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 1cur n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cur s PHE 111 N -0.43 2.01 0.80 1.61 0.08 -1.26 -4.31 117.98 116.48 1cur s PHE 111 Ca 0.00 0.31 -0.11 0.00 0.12 0.00 0.00 56.93 57.25 1cur s PHE 111 Cb 0.00 -3.91 0.07 0.00 -0.57 0.00 0.00 43.02 38.61 1cur s PHE 111 CO 0.00 -3.59 1.09 -1.54 -0.10 0.00 0.00 175.22 171.08 1cur s SER 112 N 3.62 4.27 0.38 1.36 1.04 -1.12 -4.96 113.70 118.29 1cur s SER 112 Ca 0.73 1.75 -0.25 0.00 0.48 0.00 0.00 55.95 58.67 1cur s SER 112 Cb -0.31 -2.45 -0.09 0.00 0.10 0.00 0.00 66.02 63.27 1cur s SER 112 CO 0.29 -2.17 1.07 -2.16 0.98 0.00 0.00 173.24 171.25 1cur s PRO 113 N -4.91 4.20 -0.45 4.02 0.04 -1.26 -4.26 135.00 132.39 1cur s PRO 113 Ca 0.62 1.60 0.05 0.00 0.04 0.00 0.00 61.00 63.30 1cur s PRO 113 Cb -0.17 -2.64 0.18 0.00 0.04 0.00 0.00 34.50 31.90 1cur s PRO 113 CO 0.56 -0.13 0.48 0.14 0.04 0.00 0.00 177.00 178.09 1cur s VAL 114 N -1.56 -0.15 1.04 -0.36 -7.23 -1.26 -4.42 120.40 106.46 1cur s VAL 114 Ca 0.56 -2.04 -0.15 0.00 -1.81 0.00 0.00 61.98 58.54 1cur s VAL 114 Cb -0.25 -0.80 0.10 0.00 0.56 0.00 0.00 36.38 36.00 1cur s VAL 114 CO 0.31 -0.79 0.40 -2.65 -0.31 0.00 0.00 175.10 172.05 1cur n PRO 115 N 2.90 -1.06 0.00 4.82 -0.02 -1.26 -2.68 135.00 137.69 1cur n PRO 115 Ca 0.25 -0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1cur n PRO 115 Cb 0.51 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 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 -2.47 -0.85 -3.62 -0.52 5.02 -1.26 -3.95 118.16 110.50 1cur n LYS 116 Ca 0.04 -0.54 -0.05 0.00 -2.02 0.00 0.00 58.31 55.74 1cur n LYS 116 Cb 0.57 -1.01 -0.05 0.00 -0.02 0.00 0.00 35.03 34.52 1cur n LYS 116 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1cur s ASP 117 N -0.07 -0.16 0.00 4.39 3.68 -1.26 -5.01 116.67 118.24 1cur s ASP 117 Ca 0.01 0.20 0.00 0.00 2.13 0.00 0.00 52.55 54.89 1cur s ASP 117 Cb 0.01 0.17 0.00 0.00 -1.45 0.00 0.00 42.92 41.65 1cur s ASP 117 CO 0.01 -0.13 0.00 0.61 0.13 0.00 0.00 175.17 175.79 1cur n GLY 118 N 0.83 0.43 3.85 2.66 0.00 -1.26 -4.84 105.19 106.86 1cur n GLY 118 Ca -0.05 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 3.60 -0.23 1.61 1.02 -1.26 -3.32 119.74 121.16 1cur s LYS 119 Ca 0.00 0.90 -0.01 0.00 0.02 0.00 0.00 55.97 56.89 1cur s LYS 119 Cb 0.00 -2.08 0.07 0.00 -0.52 0.00 0.00 37.83 35.29 1cur s LYS 119 CO 0.00 -0.56 -0.00 -0.06 -0.92 0.00 0.00 175.35 173.81 1cur s PHE 120 N -2.88 1.84 0.00 3.18 0.40 0.79 -4.67 117.98 116.66 1cur s PHE 120 Ca 0.58 -1.45 -0.30 0.00 -0.60 0.00 0.00 56.93 55.15 1cur s PHE 120 Cb -0.12 -1.42 -0.06 0.00 0.51 0.00 0.00 43.02 41.93 1cur s PHE 120 CO 0.44 -0.73 1.54 0.20 0.70 0.00 0.00 175.22 177.37 1cur s GLY 121 N 1.58 1.67 0.28 4.36 0.00 -1.26 -0.56 107.32 113.39 1cur s GLY 121 Ca -0.02 0.98 0.03 0.00 0.00 0.00 0.00 44.72 45.72 1cur s GLY 121 CO -0.09 2.76 0.05 -2.52 0.00 0.00 0.00 173.10 173.30 1cur s TYR 122 N 2.91 1.71 -0.23 1.90 -0.85 0.27 -1.84 117.35 121.22 1cur s TYR 122 Ca 0.69 -1.01 -0.10 0.00 -0.52 0.00 0.00 57.07 56.13 1cur s TYR 122 Cb -0.34 -1.05 0.09 0.00 0.38 0.00 0.00 41.96 41.04 1cur s TYR 122 CO 0.29 -0.11 0.53 0.99 -1.52 0.00 0.00 175.55 175.73 1cur s THR 123 N -3.47 -0.43 -0.37 -3.49 2.01 -0.84 -1.47 115.64 107.58 1cur s THR 123 Ca 0.34 0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.36 1cur s THR 123 Cb 0.07 -0.80 0.07 0.00 0.01 0.00 0.00 72.50 71.85 1cur s THR 123 CO 0.13 0.03 0.16 -1.81 -0.69 0.00 0.00 174.62 172.44 1cur s ASP 124 N 2.17 5.36 0.14 3.53 1.11 -1.16 -0.46 116.67 127.35 1cur s ASP 124 Ca -0.06 -1.42 0.11 0.00 0.18 0.00 0.00 52.55 51.35 1cur s ASP 124 Cb -0.10 -1.88 -0.04 0.00 1.07 0.00 0.00 42.92 41.97 1cur s ASP 124 CO -0.16 -0.42 -0.24 0.72 1.18 0.00 0.00 175.17 176.25 1cur s PHE 125 N 1.35 2.37 0.04 4.23 -0.71 -0.53 -4.75 117.98 119.97 1cur s PHE 125 Ca 0.01 -0.35 0.06 0.00 -1.04 0.00 0.00 56.93 55.61 1cur s PHE 125 Cb -0.21 -1.26 -0.03 0.00 -1.21 0.00 0.00 43.02 40.31 1cur s PHE 125 CO 0.01 0.37 -0.15 0.99 -1.34 0.00 0.00 175.22 175.11 1cur s THR 126 N -1.17 3.03 0.03 -4.49 2.01 -1.26 -0.37 115.64 113.42 1cur s THR 126 Ca 0.16 -1.10 -0.07 0.00 0.31 0.00 0.00 61.69 60.99 1cur s THR 126 Cb -0.10 -2.30 -0.00 0.00 0.01 0.00 0.00 72.50 70.11 1cur s THR 126 CO 0.08 0.33 0.14 0.86 -0.69 0.00 0.00 174.62 175.34 1cur s TRP 127 N -0.96 0.10 -0.42 4.92 -0.00 0.58 -4.99 118.94 118.16 1cur s TRP 127 Ca 0.16 -0.31 0.03 0.00 -0.00 0.00 0.00 56.10 55.97 1cur s TRP 127 Cb -0.11 -0.08 0.12 0.00 -0.00 0.00 0.00 33.47 33.41 1cur s TRP 127 CO 0.06 -0.36 0.18 -1.01 -0.00 0.00 0.00 176.95 175.82 1cur s HIS 128 N -2.20 2.71 0.33 5.86 3.76 -1.26 -0.11 115.29 124.38 1cur s HIS 128 Ca -0.08 -2.67 -0.23 0.00 -0.15 0.00 0.00 55.06 51.93 1cur s HIS 128 Cb -0.03 -2.38 -0.10 0.00 1.11 0.00 0.00 32.58 31.18 1cur s HIS 128 CO -0.02 -0.82 0.89 -1.25 -0.85 0.00 0.00 174.74 172.68 1cur s PRO 129 N 0.50 4.40 0.24 8.40 0.04 -1.26 -4.84 135.00 142.47 1cur s PRO 129 Ca 0.15 1.14 -0.00 0.00 0.04 0.00 0.00 61.00 62.33 1cur s PRO 129 Cb -0.22 -2.66 -0.04 0.00 0.04 0.00 0.00 34.50 31.62 1cur s PRO 129 CO -0.06 0.23 0.43 0.95 0.04 0.00 0.00 177.00 178.59 1cur s THR 130 N -1.74 5.18 0.47 1.26 -4.23 -1.26 -0.83 115.64 114.49 1cur s THR 130 Ca 0.52 -0.43 -0.23 0.00 -1.18 0.00 0.00 61.69 60.37 1cur s THR 130 Cb -0.16 -3.78 -0.08 0.00 1.34 0.00 0.00 72.50 69.83 1cur s THR 130 CO 0.20 -0.29 1.17 0.00 -0.54 0.00 0.00 174.62 175.16 1cur n ALA 131 N -1.01 0.87 0.00 3.99 0.00 -1.26 -4.77 120.51 118.33 1cur n ALA 131 Ca -0.05 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1cur n ALA 131 Cb 0.55 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 0.98 0.56 3.27 0.00 0.00 0.56 -4.95 105.19 105.61 1cur n GLY 132 Ca 0.09 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.03 0.03 0.30 2.61 2.01 -1.26 -0.74 115.64 117.55 1cur s THR 133 Ca 0.00 -0.22 -0.04 0.00 0.31 0.00 0.00 61.69 61.75 1cur s THR 133 Cb 0.00 -0.59 -0.01 0.00 0.01 0.00 0.00 72.50 71.91 1cur s THR 133 CO 0.00 -0.12 0.41 -0.31 -0.69 0.00 0.00 174.62 173.91 1cur s TYR 134 N -0.57 0.99 0.04 4.92 1.51 0.56 -4.83 117.35 119.97 1cur s TYR 134 Ca -0.07 -1.22 -0.04 0.00 -1.01 0.00 0.00 57.07 54.73 1cur s TYR 134 Cb -0.04 -0.15 -0.02 0.00 -0.11 0.00 0.00 41.96 41.65 1cur s TYR 134 CO 0.03 -1.02 0.06 0.71 -1.11 0.00 0.00 175.55 174.22 1cur s TYR 135 N -3.43 0.27 0.08 2.71 1.51 0.98 -0.46 117.35 119.01 1cur s TYR 135 Ca 0.31 -0.62 0.09 0.00 -1.01 0.00 0.00 57.07 55.84 1cur s TYR 135 Cb 0.01 -0.20 -0.03 0.00 -0.11 0.00 0.00 41.96 41.63 1cur s TYR 135 CO 0.17 -0.35 -0.25 1.52 -1.11 0.00 0.00 175.55 175.54 1cur s TYR 136 N -2.75 2.16 0.12 2.71 -0.85 0.14 -0.74 117.35 118.14 1cur s TYR 136 Ca -0.04 -0.40 -0.13 0.00 -0.52 0.00 0.00 57.07 55.99 1cur s TYR 136 Cb -0.00 -1.23 0.02 0.00 0.38 0.00 0.00 41.96 41.12 1cur s TYR 136 CO -0.05 0.21 0.31 0.14 -1.52 0.00 0.00 175.55 174.64 1cur s VAL 137 N -0.94 0.10 -0.16 -3.49 -7.23 0.30 -1.61 120.40 107.36 1cur s VAL 137 Ca 0.11 -0.89 -0.07 0.00 -1.81 0.00 0.00 61.98 59.32 1cur s VAL 137 Cb -0.10 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 1cur s VAL 137 CO 0.04 -0.44 0.08 0.00 -0.31 0.00 0.00 175.10 174.47 1cur h GLN 139 N 6.11 0.43 -6.26 0.00 4.20 -1.95 -3.28 115.11 114.36 1cur h GLN 139 Ca -0.43 -0.25 -0.68 0.00 0.06 0.00 0.00 58.65 57.34 1cur h GLN 139 Cb 1.18 0.02 0.05 0.00 0.30 0.00 0.00 27.48 29.03 1cur h GLN 139 CO 0.67 0.84 0.55 -0.89 -0.67 0.00 0.00 178.83 179.32 1cur n ILE 140 N -3.96 0.05 -1.40 2.54 5.41 -1.26 -4.33 119.36 116.40 1cur n ILE 140 Ca -0.02 -0.01 -0.45 0.00 1.00 0.00 0.00 62.75 63.27 1cur n ILE 140 Cb 0.57 -0.93 -0.01 0.00 -0.71 0.00 0.00 39.64 38.55 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 3.05 0.26 0.00 0.38 -0.02 -1.26 -2.26 135.00 135.15 1cur n PRO 141 Ca 0.20 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1cur n PRO 141 Cb 0.19 -1.19 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 1.96 0.90 0.19 -1.23 0.00 0.56 -4.75 105.19 102.81 1cur n GLY 142 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 0.21 0.00 1.61 3.86 -1.74 0.19 115.15 119.28 1cur h HIS 143 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1cur h HIS 143 Cb 0.00 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1cur h HIS 143 CO 0.00 0.04 -0.11 0.00 0.86 0.00 0.00 177.93 178.72 1cur n ALA 144 N -2.46 2.51 0.20 2.45 0.00 -1.24 -0.40 120.51 121.57 1cur n ALA 144 Ca 0.05 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 1cur n ALA 144 Cb 0.21 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.19 1cur n ALA 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cur h ALA 145 N 2.83 -0.56 -1.63 0.00 0.00 -0.70 -0.69 119.26 118.51 1cur h ALA 145 Ca 0.00 -0.17 -0.29 0.00 0.00 0.00 0.00 54.91 54.44 1cur h ALA 145 Cb 0.58 0.22 -0.27 0.00 0.00 0.00 0.00 17.79 18.32 1cur h ALA 145 CO 0.00 -0.58 -0.64 0.95 0.00 0.00 0.00 179.25 178.98 1cur s THR 146 N -3.96 -0.50 0.04 0.00 -4.23 -0.30 -4.27 115.64 102.41 1cur s THR 146 Ca -0.12 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 1cur s THR 146 Cb 0.01 -0.48 0.00 0.00 1.34 0.00 0.00 72.50 73.37 1cur s THR 146 CO 0.39 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 1cur n GLY 147 N 3.86 -1.89 2.68 3.99 0.00 -0.41 -4.72 105.19 108.70 1cur n GLY 147 Ca 0.15 0.64 -0.22 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.35 0.06 0.00 1.61 0.23 0.47 -3.66 119.30 116.65 1cur s MET 148 Ca 0.00 0.15 0.00 0.00 -1.03 0.00 0.00 55.69 54.81 1cur s MET 148 Cb 0.00 -1.24 0.00 0.00 -1.53 0.00 0.00 34.83 32.06 1cur s MET 148 CO 0.00 -0.56 0.00 1.97 -2.03 0.00 0.00 175.02 174.40 1cur n PHE 149 N 5.30 -0.55 0.00 3.16 1.16 -1.26 -3.51 117.46 121.75 1cur n PHE 149 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.52 1cur n PHE 149 Cb 0.49 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.36 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 0.00 0.50 3.66 4.97 0.00 -0.63 -4.49 105.19 109.20 1cur n GLY 150 Ca 0.00 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 1cur n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cur s LYS 151 N -2.00 2.45 -0.07 1.61 1.02 -1.25 -0.69 119.74 120.81 1cur s LYS 151 Ca 0.00 -0.90 0.02 0.00 0.02 0.00 0.00 55.97 55.12 1cur s LYS 151 Cb 0.00 -2.48 0.01 0.00 -0.52 0.00 0.00 37.83 34.84 1cur s LYS 151 CO 0.00 0.53 -0.13 0.42 -0.92 0.00 0.00 175.35 175.25 1cur s ILE 152 N -1.32 1.18 -0.06 2.17 1.01 0.39 -0.86 121.20 123.70 1cur s ILE 152 Ca 0.25 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.44 1cur s ILE 152 Cb -0.11 -1.07 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 1cur s ILE 152 CO 0.17 0.36 -0.21 -0.69 0.00 0.00 0.00 174.94 174.58 1cur s VAL 153 N 0.65 2.39 -0.12 2.92 1.01 0.53 -0.33 120.40 127.45 1cur s VAL 153 Ca -0.15 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 60.90 1cur s VAL 153 Cb -0.16 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.34 1cur s VAL 153 CO 0.04 0.57 -0.15 -0.69 0.00 0.00 0.00 175.10 174.87 1cur s VAL 154 N -0.24 1.52 0.00 2.92 1.01 0.08 -0.36 120.40 125.33 1cur s VAL 154 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1cur s VAL 154 Cb -0.13 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1cur s VAL 154 CO 0.03 0.45 0.00 0.29 0.00 0.00 0.00 175.10 175.87