#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uua s LEU 2 N 0.00 4.50 0.15 -0.89 1.43 -1.26 -4.93 118.68 117.67 2uua s LEU 2 Ca 0.00 2.09 0.01 0.00 -1.03 0.00 0.00 54.13 55.20 2uua s LEU 2 Cb 0.00 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.56 2uua s LEU 2 CO 0.00 -0.20 1.34 0.71 0.23 0.00 0.00 176.35 178.43 2uua h THR 3 N 3.69 1.50 -1.98 5.49 1.35 -2.05 -3.41 112.91 117.49 2uua h THR 3 Ca -0.44 -2.70 -0.42 0.00 -0.55 0.00 0.00 66.41 62.29 2uua h THR 3 Cb 1.21 2.53 -0.32 0.00 -1.73 0.00 0.00 68.15 69.85 2uua h THR 3 CO 0.72 0.79 -0.76 -0.62 -0.25 0.00 0.00 175.52 175.39 2uua s ASP 4 N -6.95 0.98 0.61 5.36 2.15 -1.26 -4.94 116.67 112.62 2uua s ASP 4 Ca -0.03 -2.14 0.25 0.00 0.43 0.00 0.00 52.55 51.06 2uua s ASP 4 Cb 0.10 0.38 1.11 0.00 -0.30 0.00 0.00 42.92 44.21 2uua s ASP 4 CO 0.84 -0.20 1.56 -0.65 -0.17 0.00 0.00 175.17 176.55 2uua h PRO 5 N 6.27 0.00 0.02 4.34 0.11 -1.99 0.59 132.00 141.33 2uua h PRO 5 Ca 0.12 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 2uua h PRO 5 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2uua h PRO 5 CO 0.23 0.00 -0.12 0.82 -0.21 0.00 0.00 178.00 178.71 2uua h ILE 6 N 0.00 1.71 -0.81 4.15 1.08 -1.99 -2.49 117.51 119.16 2uua h ILE 6 Ca 0.28 -2.25 0.07 0.00 -0.39 0.00 0.00 64.86 62.57 2uua h ILE 6 Cb 1.90 3.23 -0.05 0.00 -3.07 0.00 0.00 36.82 38.83 2uua h ILE 6 CO -0.00 0.59 0.53 0.00 -0.69 0.00 0.00 178.15 178.58 2uua h ALA 7 N 0.07 1.64 -0.12 1.87 0.00 -1.36 0.12 119.26 121.48 2uua h ALA 7 Ca -0.02 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2uua h ALA 7 Cb 1.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2uua h ALA 7 CO 0.02 0.23 -0.04 0.22 0.00 0.00 0.00 179.25 179.68 2uua h ASP 8 N 0.86 -0.14 0.89 0.00 3.58 -1.17 0.37 116.42 120.80 2uua h ASP 8 Ca 0.35 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.80 2uua h ASP 8 Cb 0.27 0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.42 2uua h ASP 8 CO -0.13 -0.06 -0.43 -0.03 -2.88 0.00 0.00 179.24 175.72 2uua h MET 9 N -0.02 -1.15 -1.00 0.28 4.05 -0.76 0.49 114.93 116.82 2uua h MET 9 Ca 0.06 0.08 0.40 0.00 -0.28 0.00 0.00 59.70 59.96 2uua h MET 9 Cb 0.11 0.26 -0.18 0.00 -0.80 0.00 0.00 31.60 30.99 2uua h MET 9 CO -0.14 -0.77 0.48 1.28 0.23 0.00 0.00 176.91 178.00 2uua n LEU 10 N -5.52 0.30 -0.03 3.39 4.77 0.30 -0.27 117.00 119.94 2uua n LEU 10 Ca -0.15 1.66 -0.15 0.00 -0.03 0.00 0.00 56.01 57.34 2uua n LEU 10 Cb 0.47 -0.79 -0.10 0.00 -2.33 0.00 0.00 43.42 40.67 2uua n LEU 10 CO 0.36 -1.84 0.45 0.74 -1.33 0.00 0.00 177.39 175.76 2uua h THR 11 N 0.00 1.45 -0.73 -5.08 2.02 -0.53 -0.47 112.91 109.57 2uua h THR 11 Ca 0.82 -1.72 0.15 0.00 0.77 0.00 0.00 66.41 66.43 2uua h THR 11 Cb 2.14 2.41 -0.10 0.00 -1.74 0.00 0.00 68.15 70.86 2uua h THR 11 CO -0.79 0.49 0.24 0.03 0.37 0.00 0.00 175.52 175.86 2uua h ARG 12 N -0.26 0.35 -0.32 6.66 3.08 0.17 0.61 114.38 124.66 2uua h ARG 12 Ca -0.02 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2uua h ARG 12 Cb 0.93 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2uua h ARG 12 CO 0.06 0.23 0.09 0.82 -1.07 0.00 0.00 179.97 180.09 2uua h ILE 13 N 0.36 1.21 0.31 2.04 2.04 -1.15 0.21 117.51 122.54 2uua h ILE 13 Ca 0.40 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 2uua h ILE 13 Cb 0.64 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2uua h ILE 13 CO -0.44 0.24 -0.26 -0.09 0.00 0.00 0.00 178.15 177.59 2uua h ARG 14 N 0.36 -0.57 0.60 2.37 2.43 0.81 -1.53 114.38 118.85 2uua h ARG 14 Ca 0.10 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2uua h ARG 14 Cb 0.28 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 2uua h ARG 14 CO -0.00 -0.38 -0.50 -0.91 -1.51 0.00 0.00 179.97 176.67 2uua h ASN 15 N -0.59 -1.33 -0.71 -3.80 2.35 0.26 -2.73 115.58 109.03 2uua h ASN 15 Ca -0.02 0.10 0.15 0.00 -0.55 0.00 0.00 56.30 55.98 2uua h ASN 15 Cb 0.52 0.42 -0.13 0.00 0.05 0.00 0.00 38.32 39.19 2uua h ASN 15 CO -0.02 -0.69 -0.08 0.00 -1.65 0.00 0.00 177.43 174.98 2uua h ALA 16 N -0.94 0.61 -0.87 -0.83 0.00 -0.55 -0.62 119.26 116.05 2uua h ALA 16 Ca -0.08 0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2uua h ALA 16 Cb 0.90 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 2uua h ALA 16 CO -0.01 -0.42 0.57 1.79 0.00 0.00 0.00 179.25 181.19 2uua h THR 17 N 0.05 1.19 0.00 0.00 1.35 -1.12 -1.72 112.91 112.65 2uua h THR 17 Ca 0.37 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2uua h THR 17 Cb 0.60 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.98 2uua h THR 17 CO -0.68 0.21 0.00 0.03 -0.25 0.00 0.00 175.52 174.83 2uua h ARG 18 N 1.13 0.00 -0.26 4.72 -0.00 -0.80 0.16 114.38 119.33 2uua h ARG 18 Ca 0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.81 2uua h ARG 18 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.91 2uua h ARG 18 CO -0.09 0.00 0.00 1.33 0.00 0.00 0.00 179.97 181.21 2uua n VAL 19 N -3.06 2.03 -2.86 2.04 0.24 -0.89 -4.98 118.33 110.85 2uua n VAL 19 Ca -0.02 -1.74 -0.17 0.00 -2.04 0.00 0.00 64.34 60.38 2uua n VAL 19 Cb 0.15 -0.11 -0.00 0.00 -1.47 0.00 0.00 33.84 32.41 2uua n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2uua n TYR 20 N -0.38 -1.62 -0.65 6.34 4.01 0.55 -4.94 117.16 120.46 2uua n TYR 20 Ca 0.19 0.23 -0.31 0.00 -0.16 0.00 0.00 57.90 57.85 2uua n TYR 20 Cb 0.79 -2.93 0.18 0.00 -0.31 0.00 0.00 39.34 37.07 2uua n TYR 20 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2uua n LYS 21 N -3.26 -1.21 -0.04 -0.72 4.76 -0.70 -4.97 118.16 112.02 2uua n LYS 21 Ca -0.09 -0.31 -0.01 0.00 -2.87 0.00 0.00 58.31 55.03 2uua n LYS 21 Cb 0.58 -2.04 -0.00 0.00 -1.84 0.00 0.00 35.03 31.72 2uua n LYS 21 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2uua h GLU 22 N -2.07 0.00 0.00 1.97 4.81 -1.92 -3.44 114.58 113.94 2uua h GLU 22 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2uua h GLU 22 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2uua h GLU 22 CO 0.41 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.56 2uua n SER 23 N -3.73 1.39 0.00 1.04 3.41 -1.26 -0.74 113.62 113.74 2uua n SER 23 Ca -0.02 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 58.02 2uua n SER 23 Cb 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2uua n SER 23 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2uua n THR 24 N -0.17 0.00 -3.07 6.66 5.66 -1.11 -4.87 114.28 117.38 2uua n THR 24 Ca 0.00 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.78 2uua n THR 24 Cb 0.00 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.79 2uua n THR 24 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2uua s ASP 25 N 0.00 5.85 -0.25 1.09 1.01 -1.26 -0.35 116.67 122.76 2uua s ASP 25 Ca 0.00 0.19 -0.14 0.00 0.71 0.00 0.00 52.55 53.31 2uua s ASP 25 Cb 0.00 -1.47 0.08 0.00 1.01 0.00 0.00 42.92 42.54 2uua s ASP 25 CO 0.00 -0.66 0.62 0.54 0.21 0.00 0.00 175.17 175.88 2uua s VAL 26 N -2.49 -0.02 -0.02 -1.27 0.11 -1.20 -4.91 120.40 110.60 2uua s VAL 26 Ca 0.48 0.03 -0.37 0.00 -2.93 0.00 0.00 61.98 59.18 2uua s VAL 26 Cb -0.10 -0.90 -0.16 0.00 -1.53 0.00 0.00 36.38 33.70 2uua s VAL 26 CO 0.37 0.01 1.53 -2.65 -3.33 0.00 0.00 175.10 171.03 2uua n PRO 27 N 4.33 1.37 -2.84 1.54 -0.02 -1.26 -1.29 135.00 136.82 2uua n PRO 27 Ca -0.21 0.50 -0.35 0.00 -2.02 0.00 0.00 63.50 61.42 2uua n PRO 27 Cb 0.58 -2.19 -0.07 0.00 -0.02 0.00 0.00 33.50 31.81 2uua n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2uua s ALA 28 N 1.70 3.16 -0.11 3.55 0.00 -0.57 -4.83 121.76 124.65 2uua s ALA 28 Ca 0.88 0.42 -0.19 0.00 0.00 0.00 0.00 51.96 53.07 2uua s ALA 28 Cb -0.93 -3.12 0.04 0.00 0.00 0.00 0.00 23.12 19.12 2uua s ALA 28 CO 0.51 0.18 0.48 -1.54 0.00 0.00 0.00 175.76 175.38 2uua s SER 29 N -1.90 -0.45 0.13 0.00 1.04 -1.26 -4.95 113.70 106.32 2uua s SER 29 Ca 0.55 0.69 -0.24 0.00 0.48 0.00 0.00 55.95 57.43 2uua s SER 29 Cb -0.14 0.73 -0.02 0.00 0.10 0.00 0.00 66.02 66.68 2uua s SER 29 CO 0.19 -0.33 1.64 0.03 0.98 0.00 0.00 173.24 175.75 2uua h ARG 30 N 4.51 -0.29 -0.33 4.02 3.08 -1.99 0.19 114.38 123.57 2uua h ARG 30 Ca -0.28 0.02 0.07 0.00 0.07 0.00 0.00 59.98 59.86 2uua h ARG 30 Cb 1.17 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 31.21 2uua h ARG 30 CO 0.29 -0.19 -0.22 0.35 -1.07 0.00 0.00 179.97 179.13 2uua h PHE 31 N -0.30 -0.56 -0.92 3.04 3.57 -1.99 0.35 116.94 120.13 2uua h PHE 31 Ca 0.09 0.04 0.16 0.00 3.53 0.00 0.00 57.97 61.79 2uua h PHE 31 Cb 0.43 0.30 -0.10 0.00 2.79 0.00 0.00 35.95 39.37 2uua h PHE 31 CO -0.31 -0.29 0.52 -0.22 -2.23 0.00 0.00 178.31 175.78 2uua h LYS 32 N -0.18 0.70 -0.09 1.11 3.64 -1.75 -0.42 116.57 119.58 2uua h LYS 32 Ca 0.17 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2uua h LYS 32 Cb 0.44 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2uua h LYS 32 CO -0.44 0.46 0.04 1.49 -2.27 0.00 0.00 179.45 178.74 2uua h GLU 33 N 0.72 0.14 -0.98 1.90 4.81 0.26 -2.35 114.58 119.07 2uua h GLU 33 Ca 0.51 -0.02 0.24 0.00 -0.13 0.00 0.00 59.36 59.96 2uua h GLU 33 Cb 0.71 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.99 2uua h GLU 33 CO -0.36 0.23 0.65 1.49 -0.73 0.00 0.00 179.01 180.30 2uua h GLU 34 N 0.01 0.37 -0.01 1.92 4.57 0.11 0.72 114.58 122.26 2uua h GLU 34 Ca 0.03 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2uua h GLU 34 Cb 0.14 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2uua h GLU 34 CO -0.00 0.24 -0.01 0.82 -1.18 0.00 0.00 179.01 178.88 2uua h ILE 35 N 0.38 1.39 -0.75 2.32 2.04 -0.94 -3.00 117.51 118.95 2uua h ILE 35 Ca 0.53 -1.17 0.13 0.00 1.00 0.00 0.00 64.86 65.36 2uua h ILE 35 Cb 1.39 2.15 -0.09 0.00 -0.74 0.00 0.00 36.82 39.53 2uua h ILE 35 CO -0.22 0.31 0.32 -0.07 0.00 0.00 0.00 178.15 178.49 2uua h LEU 36 N -0.45 0.33 -0.80 1.44 3.38 -0.45 0.57 115.31 119.33 2uua h LEU 36 Ca 0.00 0.10 0.19 0.00 0.09 0.00 0.00 57.88 58.26 2uua h LEU 36 Cb 0.51 0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.18 2uua h LEU 36 CO 0.00 0.14 0.04 -0.09 0.09 0.00 0.00 178.44 178.62 2uua h ARG 37 N 0.48 0.11 -0.03 1.13 2.43 -0.87 0.52 114.38 118.15 2uua h ARG 37 Ca 0.41 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.56 2uua h ARG 37 Cb 0.59 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2uua h ARG 37 CO -0.38 0.07 -0.01 0.82 -1.51 0.00 0.00 179.97 178.96 2uua h ILE 38 N 0.11 1.31 -0.74 1.20 2.04 -0.87 0.09 117.51 120.65 2uua h ILE 38 Ca 0.45 -0.93 0.17 0.00 1.00 0.00 0.00 64.86 65.55 2uua h ILE 38 Cb 0.83 1.87 -0.12 0.00 -0.74 0.00 0.00 36.82 38.65 2uua h ILE 38 CO -0.69 0.25 0.09 -0.07 0.00 0.00 0.00 178.15 177.72 2uua h LEU 39 N -0.30 -0.18 0.65 1.44 -0.00 0.36 0.34 115.31 117.62 2uua h LEU 39 Ca 0.01 0.17 -0.03 0.00 -0.00 0.00 0.00 57.88 58.03 2uua h LEU 39 Cb 0.41 0.28 0.01 0.00 -0.00 0.00 0.00 40.66 41.35 2uua h LEU 39 CO 0.00 -0.12 -0.31 0.00 -0.00 0.00 0.00 178.44 178.01 2uua h ALA 40 N 1.66 -0.88 -0.54 1.53 0.00 0.06 -1.51 119.26 119.59 2uua h ALA 40 Ca 0.42 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.22 2uua h ALA 40 Cb 0.74 0.34 -0.11 0.00 0.00 0.00 0.00 17.79 18.76 2uua h ALA 40 CO -0.59 -0.92 -0.20 -0.09 0.00 0.00 0.00 179.25 177.44 2uua h ARG 41 N -1.02 -0.07 0.00 0.00 2.43 0.08 0.24 114.38 116.03 2uua h ARG 41 Ca -0.09 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2uua h ARG 41 Cb 0.71 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2uua h ARG 41 CO 0.15 -0.05 0.00 0.39 -1.51 0.00 0.00 179.97 178.95 2uua n GLU 42 N -5.41 0.02 -2.63 0.20 -0.58 0.11 -4.91 120.64 107.44 2uua n GLU 42 Ca 0.05 0.31 -0.09 0.00 -0.42 0.00 0.00 57.16 57.01 2uua n GLU 42 Cb 0.32 -1.55 0.04 0.00 -0.57 0.00 0.00 31.44 29.68 2uua n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2uua n GLY 43 N -0.25 -0.47 0.02 0.62 0.00 0.84 -4.94 105.19 101.00 2uua n GLY 43 Ca 0.03 0.28 -0.00 0.00 0.00 0.00 0.00 46.02 46.32 2uua n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2uua n PHE 44 N -2.54 0.00 -4.32 1.61 3.72 -0.66 -5.01 117.46 110.26 2uua n PHE 44 Ca -0.04 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.19 2uua n PHE 44 Cb 0.57 -0.19 -0.10 0.00 -0.94 0.00 0.00 39.48 38.83 2uua n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2uua s ILE 45 N -2.20 1.43 0.19 4.37 -4.36 -1.24 -3.98 121.20 115.41 2uua s ILE 45 Ca -0.02 -2.12 -0.04 0.00 -0.26 0.00 0.00 60.65 58.20 2uua s ILE 45 Cb 0.02 -2.07 -0.03 0.00 1.25 0.00 0.00 42.46 41.63 2uua s ILE 45 CO 0.20 -0.58 1.53 0.11 0.24 0.00 0.00 174.94 176.44 2uua h LYS 46 N 2.59 0.63 0.00 0.37 1.57 -0.38 -3.43 116.57 117.92 2uua h LYS 46 Ca -0.38 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.05 2uua h LYS 46 Cb 1.21 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2uua h LYS 46 CO 0.63 0.96 0.00 0.41 -0.57 0.00 0.00 179.45 180.89 2uua n GLY 47 N 0.14 -1.27 0.85 3.86 0.00 -1.16 -4.98 105.19 102.63 2uua n GLY 47 Ca -0.03 -1.54 -0.06 0.00 0.00 0.00 0.00 46.02 44.40 2uua n GLY 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2uua n TYR 48 N 0.86 -0.12 -3.65 1.61 0.18 -1.26 -0.28 117.16 114.51 2uua n TYR 48 Ca 0.00 -0.72 -0.01 0.00 1.88 0.00 0.00 57.90 59.05 2uua n TYR 48 Cb 0.00 0.05 -0.05 0.00 -0.38 0.00 0.00 39.34 38.95 2uua n TYR 48 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 2uua s GLU 49 N -2.37 0.00 0.78 -3.48 -1.05 -0.96 -4.97 118.70 106.65 2uua s GLU 49 Ca 0.09 0.00 -0.11 0.00 -0.15 0.00 0.00 54.97 54.80 2uua s GLU 49 Cb 0.00 0.00 0.06 0.00 -0.44 0.00 0.00 34.13 33.76 2uua s GLU 49 CO 0.06 -0.00 1.09 1.03 0.95 0.00 0.00 175.26 178.39 2uua s ARG 50 N -0.57 2.20 0.23 -4.83 3.00 -1.26 -1.44 118.95 116.28 2uua s ARG 50 Ca 0.09 1.15 -0.22 0.00 0.00 0.00 0.00 55.73 56.75 2uua s ARG 50 Cb -0.03 -1.89 0.05 0.00 0.00 0.00 0.00 34.95 33.08 2uua s ARG 50 CO -0.12 -1.68 0.86 0.14 0.00 0.00 0.00 175.30 174.50 2uua s VAL 51 N -2.91 0.00 -0.50 3.52 -7.23 -1.05 -4.80 120.40 107.44 2uua s VAL 51 Ca 0.61 -0.82 0.03 0.00 -1.81 0.00 0.00 61.98 59.99 2uua s VAL 51 Cb -0.17 -2.16 0.16 0.00 0.56 0.00 0.00 36.38 34.76 2uua s VAL 51 CO 0.56 0.00 0.34 -1.81 -0.31 0.00 0.00 175.10 173.88 2uua s ASP 52 N -2.99 3.24 -0.40 4.85 1.11 -1.26 -1.67 116.67 119.55 2uua s ASP 52 Ca 0.13 -3.07 -0.29 0.00 0.18 0.00 0.00 52.55 49.51 2uua s ASP 52 Cb -0.04 -0.98 0.01 0.00 1.07 0.00 0.00 42.92 42.98 2uua s ASP 52 CO 0.05 -0.19 1.38 -0.69 1.18 0.00 0.00 175.17 176.91 2uua s VAL 53 N -0.18 3.94 -1.16 -1.27 1.01 -0.63 -3.21 120.40 118.90 2uua s VAL 53 Ca 0.24 0.98 -0.03 0.00 0.00 0.00 0.00 61.98 63.17 2uua s VAL 53 Cb -0.10 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.06 2uua s VAL 53 CO -0.10 -0.74 0.99 -0.67 0.00 0.00 0.00 175.10 174.57 2uua n ASP 54 N 8.64 -3.57 -1.60 3.32 2.03 -1.26 -2.28 116.55 121.82 2uua n ASP 54 Ca 0.16 -0.54 -0.18 0.00 0.52 0.00 0.00 54.79 54.74 2uua n ASP 54 Cb 0.48 -4.73 -0.07 0.00 -0.72 0.00 0.00 41.12 36.07 2uua n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2uua n GLY 55 N -1.42 1.59 3.21 0.27 0.00 -1.20 -4.94 105.19 102.70 2uua n GLY 55 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2uua n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uua s LYS 56 N -3.66 2.59 -0.08 1.61 3.01 -0.97 -5.07 119.74 117.18 2uua s LYS 56 Ca 0.00 -0.82 -0.30 0.00 -1.01 0.00 0.00 55.97 53.85 2uua s LYS 56 Cb 0.00 -2.08 -0.05 0.00 -1.01 0.00 0.00 37.83 34.69 2uua s LYS 56 CO 0.00 0.25 1.67 -1.25 0.51 0.00 0.00 175.35 176.53 2uua s PRO 57 N 0.15 4.10 0.34 -1.68 0.04 -1.26 -1.60 135.00 135.08 2uua s PRO 57 Ca -0.11 2.12 0.02 0.00 0.04 0.00 0.00 61.00 63.06 2uua s PRO 57 Cb -0.15 -4.01 -0.01 0.00 0.04 0.00 0.00 34.50 30.37 2uua s PRO 57 CO 0.06 -0.94 0.07 0.66 0.04 0.00 0.00 177.00 176.88 2uua n TYR 58 N 7.44 0.43 -3.66 0.56 4.02 -0.67 -1.51 117.16 123.77 2uua n TYR 58 Ca 0.18 -1.96 -0.28 0.00 -0.01 0.00 0.00 57.90 55.83 2uua n TYR 58 Cb 0.43 -0.11 -0.16 0.00 -0.02 0.00 0.00 39.34 39.49 2uua n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2uua s LEU 59 N 0.00 1.11 0.02 7.72 1.43 -0.41 -2.51 118.68 126.03 2uua s LEU 59 Ca 0.09 -1.11 -0.30 0.00 -1.03 0.00 0.00 54.13 51.78 2uua s LEU 59 Cb 0.00 -0.53 -0.06 0.00 0.03 0.00 0.00 46.19 45.63 2uua s LEU 59 CO 0.07 -0.38 1.48 -0.13 0.23 0.00 0.00 176.35 177.62 2uua s ARG 60 N 1.92 4.25 -0.38 1.70 0.52 -0.52 -3.26 118.95 123.18 2uua s ARG 60 Ca 0.05 2.08 -0.08 0.00 -0.52 0.00 0.00 55.73 57.25 2uua s ARG 60 Cb -0.17 -3.59 0.05 0.00 0.52 0.00 0.00 34.95 31.76 2uua s ARG 60 CO -0.20 -0.63 0.18 0.08 0.02 0.00 0.00 175.30 174.75 2uua s VAL 61 N 2.51 4.13 -0.30 3.52 1.01 0.52 -2.25 120.40 129.54 2uua s VAL 61 Ca 0.67 -1.17 -0.26 0.00 0.00 0.00 0.00 61.98 61.22 2uua s VAL 61 Cb -0.34 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.65 2uua s VAL 61 CO 0.28 -0.31 0.92 -0.31 0.00 0.00 0.00 175.10 175.68 2uua s TYR 62 N 1.44 3.20 0.36 5.22 2.02 0.62 -2.74 117.35 127.47 2uua s TYR 62 Ca 0.01 1.03 -0.13 0.00 -0.37 0.00 0.00 57.07 57.61 2uua s TYR 62 Cb -0.21 -3.40 -0.08 0.00 -0.40 0.00 0.00 41.96 37.87 2uua s TYR 62 CO 0.03 -0.63 0.75 -0.51 -1.57 0.00 0.00 175.55 173.63 2uua s LEU 63 N 3.25 3.96 0.20 -1.29 2.01 0.08 0.31 118.68 127.21 2uua s LEU 63 Ca 0.38 1.23 0.08 0.00 0.01 0.00 0.00 54.13 55.83 2uua s LEU 63 Cb -0.13 -4.06 -0.04 0.00 0.01 0.00 0.00 46.19 41.96 2uua s LEU 63 CO 0.13 -0.29 -0.01 -0.54 1.01 0.00 0.00 176.35 176.65 2uua s LYS 64 N -3.34 2.32 0.22 1.70 1.02 -1.26 -4.53 119.74 115.87 2uua s LYS 64 Ca 0.53 -1.23 -0.11 0.00 0.02 0.00 0.00 55.97 55.19 2uua s LYS 64 Cb -0.10 -2.27 -0.01 0.00 -0.52 0.00 0.00 37.83 34.93 2uua s LYS 64 CO 0.23 0.42 0.40 0.71 -0.92 0.00 0.00 175.35 176.19 2uua s TYR 65 N -1.91 0.45 0.00 3.18 1.51 -1.26 -4.18 117.35 115.14 2uua s TYR 65 Ca 0.28 -0.79 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 2uua s TYR 65 Cb -0.08 0.05 0.00 0.00 -0.11 0.00 0.00 41.96 41.82 2uua s TYR 65 CO 0.18 -0.89 0.00 0.41 -1.11 0.00 0.00 175.55 174.14 2uua n GLY 66 N -0.33 -1.02 3.92 0.71 0.00 0.15 -4.88 105.19 103.73 2uua n GLY 66 Ca -0.03 -1.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.10 2uua n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2uua s PRO 67 N -1.15 3.57 0.70 1.61 0.04 -1.26 -4.67 135.00 133.83 2uua s PRO 67 Ca 0.00 -0.05 -0.16 0.00 0.04 0.00 0.00 61.00 60.82 2uua s PRO 67 Cb 0.00 -2.58 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 2uua s PRO 67 CO 0.00 0.09 0.74 -2.13 0.04 0.00 0.00 177.00 175.74 2uua n ARG 68 N -1.54 0.46 -4.73 4.56 0.63 -1.26 -4.19 116.66 110.58 2uua n ARG 68 Ca -0.02 0.20 -0.32 0.00 -0.92 0.00 0.00 57.85 56.79 2uua n ARG 68 Cb 0.55 -2.00 -0.08 0.00 0.45 0.00 0.00 32.46 31.38 2uua n ARG 68 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2uua s ARG 69 N -2.91 2.15 0.00 -0.14 0.52 -0.34 -4.90 118.95 113.33 2uua s ARG 69 Ca 0.70 -2.35 0.00 0.00 -0.52 0.00 0.00 55.73 53.56 2uua s ARG 69 Cb -0.36 -1.54 0.00 0.00 0.52 0.00 0.00 34.95 33.57 2uua s ARG 69 CO 0.54 -0.31 0.00 1.04 0.02 0.00 0.00 175.30 176.59 2uua n GLN 70 N -1.21 0.00 0.00 3.54 1.13 -1.26 -4.54 117.38 115.04 2uua n GLN 70 Ca -0.17 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.89 2uua n GLN 70 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.02 2uua n GLN 70 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2uua n GLY 71 N 0.00 -2.35 3.77 1.08 0.00 -1.26 -4.72 105.19 101.71 2uua n GLY 71 Ca 0.00 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 2uua n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2uua s PRO 72 N 0.00 4.27 -0.37 1.61 0.04 -1.26 -4.10 135.00 135.20 2uua s PRO 72 Ca 0.00 1.90 -0.14 0.00 0.04 0.00 0.00 61.00 62.81 2uua s PRO 72 Cb 0.00 -2.89 0.02 0.00 0.04 0.00 0.00 34.50 31.67 2uua s PRO 72 CO 0.00 -0.15 0.51 -3.47 0.04 0.00 0.00 177.00 173.93 2uua n ASP 73 N 0.51 -7.10 -0.42 6.66 4.64 -1.26 -4.88 116.55 114.69 2uua n ASP 73 Ca 0.02 0.46 0.02 0.00 -1.38 0.00 0.00 54.79 53.91 2uua n ASP 73 Cb 0.45 -4.77 0.06 0.00 -1.04 0.00 0.00 41.12 35.82 2uua n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2uua n PRO 74 N -0.33 1.44 -1.91 -0.67 -0.04 -1.26 -4.84 135.00 127.38 2uua n PRO 74 Ca 0.10 -0.49 -0.42 0.00 -0.04 0.00 0.00 63.50 62.65 2uua n PRO 74 Cb 0.39 -1.30 -0.02 0.00 -0.04 0.00 0.00 33.50 32.54 2uua n PRO 74 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2uua s ARG 75 N -1.64 4.21 1.03 0.54 0.52 -1.26 -1.20 118.95 121.15 2uua s ARG 75 Ca 0.09 2.41 -0.11 0.00 -0.52 0.00 0.00 55.73 57.60 2uua s ARG 75 Cb 0.05 -3.09 0.21 0.00 0.52 0.00 0.00 34.95 32.65 2uua s ARG 75 CO 0.05 -0.53 1.09 -1.25 0.02 0.00 0.00 175.30 174.67 2uua s PRO 76 N -0.11 0.14 0.59 3.54 0.04 -1.26 -4.53 135.00 133.41 2uua s PRO 76 Ca 0.63 1.17 -0.15 0.00 0.04 0.00 0.00 61.00 62.69 2uua s PRO 76 Cb -0.44 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2uua s PRO 76 CO 0.42 -3.11 1.05 -2.00 0.04 0.00 0.00 177.00 173.40 2uua s GLU 77 N -4.58 3.37 0.14 4.56 2.12 -1.26 -4.78 118.70 118.27 2uua s GLU 77 Ca 0.67 1.13 -0.17 0.00 0.36 0.00 0.00 54.97 56.96 2uua s GLU 77 Cb -0.23 -2.04 -0.07 0.00 0.26 0.00 0.00 34.13 32.04 2uua s GLU 77 CO 0.61 -0.76 0.60 -0.65 -0.54 0.00 0.00 175.26 174.51 2uua s GLN 78 N -4.20 4.12 -0.09 4.30 -1.52 -1.26 -0.68 119.66 120.32 2uua s GLN 78 Ca 0.62 0.66 -0.26 0.00 -1.95 0.00 0.00 55.36 54.43 2uua s GLN 78 Cb -0.15 -3.02 -0.28 0.00 -0.22 0.00 0.00 33.01 29.34 2uua s GLN 78 CO 0.38 0.51 0.85 0.28 -0.25 0.00 0.00 175.29 177.06 2uua h VAL 79 N 3.02 1.66 -2.46 1.09 2.07 -1.89 -3.38 116.25 116.36 2uua h VAL 79 Ca -0.49 -2.39 -0.73 0.00 0.82 0.00 0.00 66.70 63.92 2uua h VAL 79 Cb 1.20 3.26 -0.19 0.00 -1.52 0.00 0.00 31.29 34.04 2uua h VAL 79 CO 0.65 0.65 1.01 -0.63 0.02 0.00 0.00 177.57 179.26 2uua s ILE 80 N -2.39 5.01 -0.04 4.57 1.01 -1.26 -4.84 121.20 123.25 2uua s ILE 80 Ca -0.17 -2.25 -0.22 0.00 0.00 0.00 0.00 60.65 58.02 2uua s ILE 80 Cb -0.01 -4.81 -0.16 0.00 0.01 0.00 0.00 42.46 37.49 2uua s ILE 80 CO 0.75 -1.51 0.93 0.45 0.00 0.00 0.00 174.94 175.56 2uua h HIS 81 N 7.84 -0.22 -3.93 3.97 3.86 -0.65 -3.46 115.15 122.56 2uua h HIS 81 Ca 0.23 -0.01 -0.68 0.00 -1.16 0.00 0.00 60.37 58.75 2uua h HIS 81 Cb 0.94 0.07 -0.22 0.00 1.06 0.00 0.00 27.41 29.27 2uua h HIS 81 CO 1.10 0.20 -0.78 -1.58 0.86 0.00 0.00 177.93 177.73 2uua s HIS 82 N -3.61 2.65 -0.36 2.45 5.65 0.75 -4.98 115.29 117.84 2uua s HIS 82 Ca -0.13 -0.20 0.02 0.00 0.25 0.00 0.00 55.06 55.00 2uua s HIS 82 Cb 0.01 -1.53 0.19 0.00 -1.18 0.00 0.00 32.58 30.07 2uua s HIS 82 CO 0.49 0.25 0.75 -1.50 -0.65 0.00 0.00 174.74 174.09 2uua s ILE 83 N -0.89 -0.76 -0.11 0.89 2.07 -1.26 -0.80 121.20 120.34 2uua s ILE 83 Ca 0.14 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.40 2uua s ILE 83 Cb -0.11 -0.18 -0.01 0.00 0.13 0.00 0.00 42.46 42.29 2uua s ILE 83 CO 0.05 0.00 -0.17 -0.60 -1.91 0.00 0.00 174.94 172.30 2uua s ARG 84 N 2.12 3.17 0.22 3.50 3.52 -1.07 -4.90 118.95 125.51 2uua s ARG 84 Ca 0.16 -0.76 -0.30 0.00 -0.13 0.00 0.00 55.73 54.69 2uua s ARG 84 Cb -0.03 -2.48 -0.09 0.00 -1.56 0.00 0.00 34.95 30.79 2uua s ARG 84 CO -0.13 0.24 1.37 0.50 -0.81 0.00 0.00 175.30 176.47 2uua s ARG 85 N 0.24 4.33 0.00 5.12 3.00 -1.26 -1.78 118.95 128.60 2uua s ARG 85 Ca -0.11 2.17 0.00 0.00 -1.00 0.00 0.00 55.73 56.79 2uua s ARG 85 Cb -0.16 -3.15 0.00 0.00 0.00 0.00 0.00 34.95 31.64 2uua s ARG 85 CO 0.06 -0.33 0.00 -0.89 0.00 0.00 0.00 175.30 174.14 2uua n ILE 86 N 2.48 0.00 -2.06 4.11 5.41 -0.50 -4.92 119.36 123.88 2uua n ILE 86 Ca 0.06 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.40 2uua n ILE 86 Cb 0.42 -0.81 -0.02 0.00 -0.71 0.00 0.00 39.64 38.52 2uua n ILE 86 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2uua s SER 87 N -0.23 6.70 0.12 4.38 0.15 -0.78 -4.82 113.70 119.22 2uua s SER 87 Ca 0.00 2.70 0.02 0.00 0.70 0.00 0.00 55.95 59.37 2uua s SER 87 Cb 0.00 -2.64 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 2uua s SER 87 CO 0.00 -0.62 -0.05 -0.54 1.20 0.00 0.00 173.24 173.23 2uua s LYS 88 N -1.31 0.93 0.39 5.44 1.02 -0.61 -4.83 119.74 120.76 2uua s LYS 88 Ca 0.53 -1.40 -0.27 0.00 0.02 0.00 0.00 55.97 54.85 2uua s LYS 88 Cb -0.41 -0.26 -0.09 0.00 -0.52 0.00 0.00 37.83 36.55 2uua s LYS 88 CO 0.50 -0.04 1.31 -2.14 -0.92 0.00 0.00 175.35 174.07 2uua s PRO 89 N -3.85 4.05 0.00 -1.68 0.02 -1.26 -0.57 135.00 131.72 2uua s PRO 89 Ca 0.15 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.36 2uua s PRO 89 Cb 0.05 -2.83 0.00 0.00 0.02 0.00 0.00 34.50 31.74 2uua s PRO 89 CO -0.02 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 176.63 2uua n GLY 90 N 0.68 0.79 0.00 0.52 0.00 -1.26 -4.81 105.19 101.11 2uua n GLY 90 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2uua n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2uua n ARG 91 N -2.20 0.00 -2.24 1.61 0.00 0.27 -5.16 116.66 108.94 2uua n ARG 91 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.47 2uua n ARG 91 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 2uua n ARG 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2uua s ARG 92 N 0.00 3.98 -0.20 -0.14 1.81 -0.53 -1.58 118.95 122.30 2uua s ARG 92 Ca 0.00 1.88 0.01 0.00 -1.72 0.00 0.00 55.73 55.90 2uua s ARG 92 Cb 0.00 -2.64 0.03 0.00 -0.45 0.00 0.00 34.95 31.88 2uua s ARG 92 CO 0.00 -0.39 -0.17 0.08 -0.68 0.00 0.00 175.30 174.14 2uua s VAL 93 N -1.41 2.17 0.00 3.52 1.01 -1.26 -4.84 120.40 119.59 2uua s VAL 93 Ca 0.58 -1.04 0.06 0.00 0.00 0.00 0.00 61.98 61.58 2uua s VAL 93 Cb -0.32 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2uua s VAL 93 CO 0.40 0.43 -0.16 -0.31 0.00 0.00 0.00 175.10 175.45 2uua s TYR 94 N 1.27 2.63 0.02 5.22 4.12 -1.26 -0.66 117.35 128.68 2uua s TYR 94 Ca 0.03 -0.21 0.02 0.00 0.02 0.00 0.00 57.07 56.92 2uua s TYR 94 Cb -0.14 -1.54 -0.01 0.00 -1.52 0.00 0.00 41.96 38.75 2uua s TYR 94 CO -0.11 0.23 -0.07 0.14 0.02 0.00 0.00 175.55 175.76 2uua s VAL 95 N -0.85 0.49 0.59 0.71 -7.23 0.50 -4.91 120.40 109.70 2uua s VAL 95 Ca 0.14 -0.60 -0.09 0.00 -1.81 0.00 0.00 61.98 59.61 2uua s VAL 95 Cb -0.11 -0.48 -0.03 0.00 0.56 0.00 0.00 36.38 36.32 2uua s VAL 95 CO 0.04 -0.09 0.97 -0.83 -0.31 0.00 0.00 175.10 174.87 2uua s GLY 96 N -0.75 1.61 0.29 2.32 0.00 -1.26 -0.99 107.32 108.54 2uua s GLY 96 Ca -0.03 -0.23 0.03 0.00 0.00 0.00 0.00 44.72 44.49 2uua s GLY 96 CO 0.00 0.02 1.75 -0.24 0.00 0.00 0.00 173.10 174.63 2uua h VAL 97 N -0.19 0.66 0.00 1.40 3.04 -1.92 0.49 116.25 119.73 2uua h VAL 97 Ca -0.45 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 2uua h VAL 97 Cb 1.20 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.45 2uua h VAL 97 CO 0.62 0.12 0.00 0.29 -1.01 0.00 0.00 177.57 177.59 2uua n LYS 98 N -4.86 0.38 -0.06 4.17 5.02 -1.26 -2.64 118.16 118.91 2uua n LYS 98 Ca 0.21 0.07 0.02 0.00 -2.02 0.00 0.00 58.31 56.59 2uua n LYS 98 Cb 0.55 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.12 2uua n LYS 98 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2uua n GLU 99 N -1.17 2.93 -2.13 1.97 1.02 0.17 -4.99 120.64 118.45 2uua n GLU 99 Ca 0.11 -1.70 -0.42 0.00 -0.02 0.00 0.00 57.16 55.12 2uua n GLU 99 Cb 0.11 -1.10 -0.03 0.00 -0.02 0.00 0.00 31.44 30.40 2uua n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2uua s ILE 100 N -1.04 3.46 0.72 -3.67 1.01 -1.06 -4.78 121.20 115.83 2uua s ILE 100 Ca 0.08 0.90 -0.12 0.00 0.00 0.00 0.00 60.65 61.51 2uua s ILE 100 Cb 0.05 -3.58 0.03 0.00 0.01 0.00 0.00 42.46 38.97 2uua s ILE 100 CO 0.05 0.01 1.09 -2.16 0.00 0.00 0.00 174.94 173.93 2uua s PRO 101 N 2.25 2.55 -0.74 2.79 0.04 -1.26 -5.02 135.00 135.61 2uua s PRO 101 Ca 0.67 1.22 -0.06 0.00 0.04 0.00 0.00 61.00 62.87 2uua s PRO 101 Cb -0.35 -1.93 0.19 0.00 0.04 0.00 0.00 34.50 32.45 2uua s PRO 101 CO 0.29 -1.42 0.60 1.03 0.04 0.00 0.00 177.00 177.54 2uua s ARG 102 N -4.62 3.01 -0.30 4.56 0.52 -1.26 -4.86 118.95 116.00 2uua s ARG 102 Ca 0.63 -2.66 -0.28 0.00 -0.52 0.00 0.00 55.73 52.90 2uua s ARG 102 Cb -0.18 -3.98 -0.06 0.00 0.52 0.00 0.00 34.95 31.25 2uua s ARG 102 CO 0.50 -1.22 2.28 0.28 0.02 0.00 0.00 175.30 177.16 2uua n VAL 103 N 3.40 0.23 -3.38 3.52 0.31 -1.26 -3.73 118.33 117.41 2uua n VAL 103 Ca 0.12 -0.54 -0.12 0.00 -0.01 0.00 0.00 64.34 63.79 2uua n VAL 103 Cb 0.40 -2.58 0.01 0.00 -0.91 0.00 0.00 33.84 30.76 2uua n VAL 103 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2uua n ARG 104 N 8.80 -1.42 -2.03 5.55 5.12 -1.26 -1.14 116.66 130.29 2uua n ARG 104 Ca 0.33 1.11 -0.05 0.00 -1.93 0.00 0.00 57.85 57.30 2uua n ARG 104 Cb 0.46 -4.44 -0.01 0.00 -1.16 0.00 0.00 32.46 27.31 2uua n ARG 104 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2uua n ARG 105 N -2.40 -1.98 0.00 5.56 5.12 -1.24 0.20 116.66 121.91 2uua n ARG 105 Ca -0.12 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 2uua n ARG 105 Cb 0.58 -2.80 0.00 0.00 -1.16 0.00 0.00 32.46 29.08 2uua n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2uua n GLY 106 N -0.40 3.08 0.13 -0.13 0.00 -0.86 -4.89 105.19 102.12 2uua n GLY 106 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 2uua n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2uua n LEU 107 N 0.00 0.50 0.00 0.99 4.77 0.53 -4.67 117.00 119.12 2uua n LEU 107 Ca 0.00 0.70 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 2uua n LEU 107 Cb 0.00 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 2uua n LEU 107 CO 0.00 -0.80 0.00 0.61 -1.33 0.00 0.00 177.39 175.87 2uua n GLY 108 N -1.00 4.28 3.45 -0.72 0.00 -0.29 -4.93 105.19 105.98 2uua n GLY 108 Ca -0.00 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.73 2uua n GLY 108 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2uua s ILE 109 N -1.02 0.00 -0.01 -0.61 -4.36 -0.35 -4.66 121.20 110.19 2uua s ILE 109 Ca 0.00 -1.64 0.00 0.00 -0.26 0.00 0.00 60.65 58.75 2uua s ILE 109 Cb 0.00 -2.43 0.01 0.00 1.25 0.00 0.00 42.46 41.29 2uua s ILE 109 CO 0.00 0.00 0.01 0.00 0.24 0.00 0.00 174.94 175.19 2uua s ALA 110 N -3.71 0.04 -0.32 2.27 0.00 -1.26 -1.87 121.76 116.90 2uua s ALA 110 Ca 0.30 0.14 -0.08 0.00 0.00 0.00 0.00 51.96 52.32 2uua s ALA 110 Cb 0.01 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2uua s ALA 110 CO 0.14 -0.05 0.13 0.42 0.00 0.00 0.00 175.76 176.40 2uua s ILE 111 N 0.50 4.19 0.13 0.00 1.01 0.04 0.16 121.20 127.24 2uua s ILE 111 Ca -0.04 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 59.93 2uua s ILE 111 Cb -0.06 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 2uua s ILE 111 CO -0.01 -0.03 -0.07 -1.48 0.00 0.00 0.00 174.94 173.34 2uua s LEU 112 N 1.52 3.11 -0.23 2.97 2.34 -0.29 -0.87 118.68 127.23 2uua s LEU 112 Ca 0.02 -0.41 -0.09 0.00 0.06 0.00 0.00 54.13 53.72 2uua s LEU 112 Cb -0.18 -1.85 -0.04 0.00 -0.56 0.00 0.00 46.19 43.56 2uua s LEU 112 CO 0.04 0.15 0.11 -0.55 -1.06 0.00 0.00 176.35 175.04 2uua s SER 113 N -2.46 5.68 0.33 1.48 0.15 -0.07 -0.63 113.70 118.18 2uua s SER 113 Ca 0.23 0.00 0.07 0.00 0.70 0.00 0.00 55.95 56.95 2uua s SER 113 Cb -0.10 -2.01 -0.07 0.00 -1.71 0.00 0.00 66.02 62.13 2uua s SER 113 CO 0.15 0.06 -0.02 0.42 1.20 0.00 0.00 173.24 175.05 2uua s THR 114 N 1.05 1.73 -0.13 6.45 -4.23 -0.80 -1.26 115.64 118.45 2uua s THR 114 Ca 0.05 -2.08 0.28 0.00 -1.18 0.00 0.00 61.69 58.76 2uua s THR 114 Cb -0.14 -2.69 0.29 0.00 1.34 0.00 0.00 72.50 71.30 2uua s THR 114 CO 0.04 -0.14 1.84 0.77 -0.54 0.00 0.00 174.62 176.58 2uua h SER 115 N 2.08 0.00 -0.51 3.99 4.64 -1.99 0.96 113.55 122.71 2uua h SER 115 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2uua h SER 115 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2uua h SER 115 CO 0.72 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.97 2uua n LYS 116 N -2.52 4.20 0.00 4.77 5.02 -1.26 -5.04 118.16 123.34 2uua n LYS 116 Ca 0.00 -2.69 0.00 0.00 -2.02 0.00 0.00 58.31 53.60 2uua n LYS 116 Cb 0.16 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.07 2uua n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uua n GLY 117 N 0.64 0.02 3.66 0.72 0.00 0.33 -4.95 105.19 105.61 2uua n GLY 117 Ca 0.24 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 2uua n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uua s VAL 118 N -2.13 3.21 0.15 1.61 1.01 -1.26 -1.91 120.40 121.08 2uua s VAL 118 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2uua s VAL 118 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2uua s VAL 118 CO 0.00 -0.03 0.03 -0.76 0.00 0.00 0.00 175.10 174.35 2uua s LEU 119 N 4.41 1.92 0.48 3.92 1.43 0.20 -4.94 118.68 126.10 2uua s LEU 119 Ca 0.84 -1.19 -0.06 0.00 -1.03 0.00 0.00 54.13 52.68 2uua s LEU 119 Cb -0.39 0.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.95 2uua s LEU 119 CO 0.37 -0.67 0.80 0.42 0.23 0.00 0.00 176.35 177.51 2uua s THR 120 N -3.89 4.88 0.20 5.49 -4.23 -1.26 -1.13 115.64 115.70 2uua s THR 120 Ca 0.24 0.29 -0.14 0.00 -1.18 0.00 0.00 61.69 60.90 2uua s THR 120 Cb 0.07 -3.85 0.20 0.00 1.34 0.00 0.00 72.50 70.26 2uua s THR 120 CO 0.02 -0.83 1.63 -2.24 -0.54 0.00 0.00 174.62 172.67 2uua h ASP 121 N 0.32 -0.56 0.12 3.99 2.03 -0.64 0.17 116.42 121.84 2uua h ASP 121 Ca -0.47 0.18 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 2uua h ASP 121 Cb 1.20 0.37 -0.01 0.00 -0.83 0.00 0.00 39.33 40.06 2uua h ASP 121 CO 0.62 -0.20 -0.12 0.08 -1.03 0.00 0.00 179.24 178.59 2uua h ARG 122 N -0.01 -0.26 0.10 4.15 -0.00 -1.93 0.16 114.38 116.59 2uua h ARG 122 Ca 0.28 0.02 0.01 0.00 -0.00 0.00 0.00 59.98 60.29 2uua h ARG 122 Cb 0.43 0.06 -0.04 0.00 -0.00 0.00 0.00 29.97 30.42 2uua h ARG 122 CO -0.60 -0.17 -0.43 0.93 -0.00 0.00 0.00 179.97 179.70 2uua h GLU 123 N -0.27 -0.59 -0.78 0.08 5.08 -1.53 0.34 114.58 116.91 2uua h GLU 123 Ca 0.01 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.58 2uua h GLU 123 Cb 0.26 0.13 -0.14 0.00 0.50 0.00 0.00 28.75 29.50 2uua h GLU 123 CO -0.03 -0.39 -0.06 0.00 -1.00 0.00 0.00 179.01 177.52 2uua h ALA 124 N -0.74 0.72 0.14 3.43 0.00 -0.63 0.25 119.26 122.43 2uua h ALA 124 Ca -0.01 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2uua h ALA 124 Cb 0.61 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2uua h ALA 124 CO -0.23 -0.43 -0.15 -0.09 0.00 0.00 0.00 179.25 178.35 2uua h ARG 125 N 0.06 -0.31 -0.60 0.00 2.43 -0.17 -0.81 114.38 114.98 2uua h ARG 125 Ca 0.41 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.66 2uua h ARG 125 Cb 0.71 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.28 2uua h ARG 125 CO -0.73 -0.21 0.32 -0.22 -1.51 0.00 0.00 179.97 177.62 2uua h LYS 126 N -0.32 0.58 -0.11 0.20 3.64 0.18 0.16 116.57 120.90 2uua h LYS 126 Ca 0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2uua h LYS 126 Cb 0.31 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2uua h LYS 126 CO -0.04 0.38 0.00 1.28 -2.27 0.00 0.00 179.45 178.80 2uua n LEU 127 N -4.84 0.11 -4.03 5.20 4.77 0.67 -4.91 117.00 113.97 2uua n LEU 127 Ca 0.07 -0.05 -0.31 0.00 -0.03 0.00 0.00 56.01 55.68 2uua n LEU 127 Cb 0.16 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2uua n LEU 127 CO 0.29 0.03 -0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2uua n GLY 128 N 0.40 -0.43 3.11 -0.72 0.00 0.04 -4.99 105.19 102.60 2uua n GLY 128 Ca 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 2uua n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2uua s VAL 129 N -3.41 0.41 0.00 1.61 -7.23 -0.41 -4.92 120.40 106.45 2uua s VAL 129 Ca 0.56 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 2uua s VAL 129 Cb -0.29 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.24 2uua s VAL 129 CO 0.88 -0.86 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 2uua n GLY 130 N 0.28 3.72 0.00 2.32 0.00 -1.26 -4.44 105.19 105.80 2uua n GLY 130 Ca -0.15 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.73 2uua n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uua n GLY 131 N 5.00 -0.51 3.64 -0.02 0.00 -0.16 -4.50 105.19 108.64 2uua n GLY 131 Ca 0.00 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 2uua n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2uua s GLU 132 N -1.60 4.17 -1.00 1.61 2.12 -0.39 -0.37 118.70 123.25 2uua s GLU 132 Ca 0.00 1.04 -0.23 0.00 0.36 0.00 0.00 54.97 56.14 2uua s GLU 132 Cb 0.00 -3.66 0.02 0.00 0.26 0.00 0.00 34.13 30.75 2uua s GLU 132 CO 0.00 -0.61 1.59 -1.17 -0.54 0.00 0.00 175.26 174.53 2uua s LEU 133 N 3.05 3.42 0.12 2.70 0.20 0.17 -0.89 118.68 127.44 2uua s LEU 133 Ca 0.38 -1.28 -0.25 0.00 0.69 0.00 0.00 54.13 53.68 2uua s LEU 133 Cb -0.15 -2.57 -0.06 0.00 -0.43 0.00 0.00 46.19 42.98 2uua s LEU 133 CO 0.08 -1.84 1.66 0.40 -0.29 0.00 0.00 176.35 176.37 2uua h ILE 134 N 6.89 0.55 -1.40 6.68 2.04 -1.30 -2.08 117.51 128.89 2uua h ILE 134 Ca 0.18 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.32 2uua h ILE 134 Cb 1.00 0.55 -0.17 0.00 -0.74 0.00 0.00 36.82 37.46 2uua h ILE 134 CO 1.37 0.00 0.84 0.00 0.00 0.00 0.00 178.15 180.37 2uua s GLU 136 N -2.36 2.34 -0.26 0.00 -1.05 -0.73 -0.78 118.70 115.87 2uua s GLU 136 Ca 0.11 -1.61 -0.21 0.00 -0.15 0.00 0.00 54.97 53.11 2uua s GLU 136 Cb 0.01 -2.14 0.07 0.00 -0.44 0.00 0.00 34.13 31.62 2uua s GLU 136 CO -0.04 0.05 0.67 0.08 0.95 0.00 0.00 175.26 176.97 2uua s VAL 137 N -2.46 -0.00 0.00 1.83 1.01 -0.78 -2.59 120.40 117.40 2uua s VAL 137 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.37 2uua s VAL 137 Cb -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.42 2uua s VAL 137 CO 0.23 0.00 0.00 -2.67 0.00 0.00 0.00 175.10 172.66