#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wri n LEU 2 N 0.00 -3.46 0.19 3.17 4.77 -1.26 -4.80 117.00 115.61 2wri n LEU 2 Ca 0.00 0.49 0.05 0.00 -0.03 0.00 0.00 56.01 56.51 2wri n LEU 2 Cb 0.00 -1.41 0.48 0.00 -2.33 0.00 0.00 43.42 40.16 2wri n LEU 2 CO 0.00 -1.59 0.92 0.71 -1.33 0.00 0.00 177.39 176.11 2wri h THR 3 N 3.69 1.13 -2.35 -5.08 1.35 -2.06 -3.38 112.91 106.22 2wri h THR 3 Ca 0.00 -0.59 -0.45 0.00 -0.55 0.00 0.00 66.41 64.82 2wri h THR 3 Cb 0.68 1.24 -0.36 0.00 -1.73 0.00 0.00 68.15 67.98 2wri h THR 3 CO 0.00 0.18 -0.73 -0.62 -0.25 0.00 0.00 175.52 174.09 2wri s ASP 4 N -6.96 2.30 0.20 5.36 2.15 -1.26 -4.95 116.67 113.50 2wri s ASP 4 Ca -0.05 -1.42 -0.24 0.00 0.43 0.00 0.00 52.55 51.27 2wri s ASP 4 Cb 0.16 0.11 0.10 0.00 -0.30 0.00 0.00 42.92 42.99 2wri s ASP 4 CO 0.71 -0.35 1.55 -0.65 -0.17 0.00 0.00 175.17 176.25 2wri h PRO 5 N 7.71 -0.00 -0.02 4.34 0.11 -1.95 -2.78 132.00 139.40 2wri h PRO 5 Ca -0.06 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.06 2wri h PRO 5 Cb 1.03 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2wri h PRO 5 CO 0.31 -0.00 -0.15 0.82 -0.21 0.00 0.00 178.00 178.77 2wri h ILE 6 N -0.00 0.00 -1.61 4.15 5.03 -1.97 0.16 117.51 123.27 2wri h ILE 6 Ca 0.26 0.00 0.47 0.00 -0.12 0.00 0.00 64.86 65.47 2wri h ILE 6 Cb 0.52 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.24 2wri h ILE 6 CO -0.96 0.00 1.20 0.00 -0.68 0.00 0.00 178.15 177.71 2wri h ALA 7 N -1.17 3.52 -0.00 1.87 0.00 -1.89 1.35 119.26 122.93 2wri h ALA 7 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2wri h ALA 7 Cb 0.19 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2wri h ALA 7 CO -0.11 -2.03 -0.07 0.22 0.00 0.00 0.00 179.25 177.27 2wri h ASP 8 N 0.00 0.06 -0.59 0.00 3.58 -0.83 -2.07 116.42 116.57 2wri h ASP 8 Ca 0.76 -0.77 0.01 0.00 0.42 0.00 0.00 57.03 57.45 2wri h ASP 8 Cb 3.15 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 44.16 2wri h ASP 8 CO -0.01 0.82 0.39 -0.03 -2.88 0.00 0.00 179.24 177.53 2wri h MET 9 N -0.69 0.77 -0.74 0.28 4.05 0.43 0.25 114.93 119.28 2wri h MET 9 Ca -0.01 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.40 2wri h MET 9 Cb 0.83 -0.17 -0.05 0.00 -0.80 0.00 0.00 31.60 31.41 2wri h MET 9 CO 0.01 0.51 0.46 -0.07 0.23 0.00 0.00 176.91 178.05 2wri h LEU 10 N 0.79 0.76 0.17 3.39 3.38 -0.70 -2.68 115.31 120.43 2wri h LEU 10 Ca 0.22 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2wri h LEU 10 Cb -0.09 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2wri h LEU 10 CO -0.05 0.53 -0.08 0.74 0.09 0.00 0.00 178.44 179.66 2wri h THR 11 N 0.90 0.90 0.00 0.22 2.02 -0.51 -2.06 112.91 114.38 2wri h THR 11 Ca 0.30 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2wri h THR 11 Cb 0.02 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2wri h THR 11 CO -0.11 0.08 0.14 0.54 0.37 0.00 0.00 175.52 176.54 2wri n ARG 12 N -5.11 0.10 0.01 6.66 1.74 0.75 -0.11 116.66 120.70 2wri n ARG 12 Ca -0.09 0.58 -0.22 0.00 -0.77 0.00 0.00 57.85 57.35 2wri n ARG 12 Cb 0.18 -1.96 -0.14 0.00 -1.02 0.00 0.00 32.46 29.52 2wri n ARG 12 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2wri h ILE 13 N 0.00 0.90 0.64 0.55 1.08 -1.10 -3.23 117.51 116.35 2wri h ILE 13 Ca 0.00 -2.39 -0.03 0.00 -0.39 0.00 0.00 64.86 62.04 2wri h ILE 13 Cb 0.27 2.64 0.01 0.00 -3.07 0.00 0.00 36.82 36.67 2wri h ILE 13 CO 0.00 0.76 -0.31 -0.09 -0.69 0.00 0.00 178.15 177.82 2wri h ARG 14 N -0.17 -0.83 -0.53 2.37 2.43 0.15 -2.17 114.38 115.63 2wri h ARG 14 Ca -0.35 0.06 0.15 0.00 -0.81 0.00 0.00 59.98 59.03 2wri h ARG 14 Cb 1.87 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 31.59 2wri h ARG 14 CO 0.07 -0.55 0.66 -0.91 -1.51 0.00 0.00 179.97 177.73 2wri h ASN 15 N -1.00 0.00 0.12 -3.80 2.35 -0.88 -1.70 115.58 110.68 2wri h ASN 15 Ca -0.09 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.30 2wri h ASN 15 Cb 0.66 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 2wri h ASN 15 CO 0.14 0.00 -1.98 0.00 -1.65 0.00 0.00 177.43 173.94 2wri n ALA 16 N -2.25 0.88 0.19 -0.83 0.00 -1.17 -3.99 120.51 113.34 2wri n ALA 16 Ca 0.11 -0.58 0.06 0.00 0.00 0.00 0.00 53.44 53.02 2wri n ALA 16 Cb 0.85 -0.68 0.55 0.00 0.00 0.00 0.00 19.45 20.17 2wri n ALA 16 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2wri h THR 17 N 0.04 1.06 0.00 0.00 1.35 -0.65 -1.64 112.91 113.08 2wri h THR 17 Ca -0.42 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 2wri h THR 17 Cb 2.01 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 2wri h THR 17 CO 0.08 0.08 0.00 0.54 -0.25 0.00 0.00 175.52 175.97 2wri n ARG 18 N -4.46 0.12 -0.65 4.72 3.00 -0.94 -1.13 116.66 117.33 2wri n ARG 18 Ca -0.02 0.21 0.05 0.00 -0.01 0.00 0.00 57.85 58.09 2wri n ARG 18 Cb 0.13 -1.50 0.09 0.00 0.00 0.00 0.00 32.46 31.19 2wri n ARG 18 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2wri n VAL 19 N -1.33 1.05 -2.21 1.55 0.24 -0.67 -4.95 118.33 112.01 2wri n VAL 19 Ca 0.05 -1.65 -0.02 0.00 -2.04 0.00 0.00 64.34 60.67 2wri n VAL 19 Cb 0.10 0.24 -0.00 0.00 -1.47 0.00 0.00 33.84 32.70 2wri n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2wri n TYR 20 N -0.54 -1.71 -1.34 6.34 4.01 -0.28 -4.82 117.16 118.82 2wri n TYR 20 Ca 0.10 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.48 2wri n TYR 20 Cb 0.79 -1.28 0.08 0.00 -0.31 0.00 0.00 39.34 38.62 2wri n TYR 20 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2wri n LYS 21 N -2.27 0.45 -0.03 -0.72 4.81 -0.86 -4.94 118.16 114.59 2wri n LYS 21 Ca -0.02 0.20 -0.11 0.00 -0.87 0.00 0.00 58.31 57.51 2wri n LYS 21 Cb 0.43 -2.07 -0.09 0.00 0.02 0.00 0.00 35.03 33.31 2wri n LYS 21 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2wri h GLU 22 N -0.25 -0.05 -4.84 1.64 4.81 -1.89 -3.45 114.58 110.56 2wri h GLU 22 Ca -0.47 0.00 -0.42 0.00 -0.13 0.00 0.00 59.36 58.35 2wri h GLU 22 Cb 1.34 0.01 -0.14 0.00 0.63 0.00 0.00 28.75 30.60 2wri h GLU 22 CO 0.46 0.61 -0.52 -1.54 -0.73 0.00 0.00 179.01 177.28 2wri s SER 23 N -5.89 1.36 -0.25 1.04 1.04 -1.26 -1.95 113.70 107.80 2wri s SER 23 Ca -0.14 -1.66 -0.26 0.00 0.48 0.00 0.00 55.95 54.37 2wri s SER 23 Cb -0.01 0.51 0.10 0.00 0.10 0.00 0.00 66.02 66.71 2wri s SER 23 CO 0.53 -1.00 0.87 0.28 0.98 0.00 0.00 173.24 174.90 2wri s THR 24 N -3.61 0.00 0.39 2.02 -1.32 0.06 -4.93 115.64 108.25 2wri s THR 24 Ca 0.40 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.89 2wri s THR 24 Cb 0.04 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.01 2wri s THR 24 CO 0.23 0.00 0.59 -1.81 -2.21 0.00 0.00 174.62 171.42 2wri s ASP 25 N 0.06 6.00 -0.28 8.08 1.11 -1.26 -0.08 116.67 130.30 2wri s ASP 25 Ca 0.00 0.24 -0.20 0.00 0.18 0.00 0.00 52.55 52.77 2wri s ASP 25 Cb -0.04 -1.64 0.10 0.00 1.07 0.00 0.00 42.92 42.42 2wri s ASP 25 CO -0.01 -0.52 0.85 0.54 1.18 0.00 0.00 175.17 177.21 2wri s VAL 26 N -2.40 0.00 0.21 -1.27 0.11 -0.68 -4.93 120.40 111.44 2wri s VAL 26 Ca 0.45 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.23 2wri s VAL 26 Cb -0.10 -1.00 -0.16 0.00 -1.53 0.00 0.00 36.38 33.59 2wri s VAL 26 CO 0.36 0.00 0.47 -2.65 -3.33 0.00 0.00 175.10 169.95 2wri n PRO 27 N 3.26 0.00 -3.54 1.54 -0.02 -1.26 -0.80 135.00 134.18 2wri n PRO 27 Ca -0.16 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.96 2wri n PRO 27 Cb 0.57 -0.97 -0.06 0.00 -0.02 0.00 0.00 33.50 33.02 2wri n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wri s ALA 28 N -1.03 3.71 -0.11 3.55 0.00 -1.18 -4.55 121.76 122.15 2wri s ALA 28 Ca 0.62 -0.30 -0.19 0.00 0.00 0.00 0.00 51.96 52.09 2wri s ALA 28 Cb -0.88 -2.33 0.05 0.00 0.00 0.00 0.00 23.12 19.96 2wri s ALA 28 CO 0.55 0.52 0.48 -1.54 0.00 0.00 0.00 175.76 175.77 2wri s SER 29 N -1.45 -0.45 0.22 0.00 1.04 -1.26 -4.94 113.70 106.86 2wri s SER 29 Ca 0.29 0.69 -0.08 0.00 0.48 0.00 0.00 55.95 57.34 2wri s SER 29 Cb -0.15 0.73 0.27 0.00 0.10 0.00 0.00 66.02 66.97 2wri s SER 29 CO 0.16 -0.33 1.84 -0.09 0.98 0.00 0.00 173.24 175.79 2wri h ARG 30 N 4.49 0.84 -0.20 4.02 2.43 -2.00 -2.37 114.38 121.58 2wri h ARG 30 Ca -0.28 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 58.87 2wri h ARG 30 Cb 1.17 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 2wri h ARG 30 CO 0.29 0.55 0.04 0.35 -1.51 0.00 0.00 179.97 179.69 2wri h PHE 31 N 0.86 0.07 0.06 2.20 3.57 -2.01 -2.91 116.94 118.78 2wri h PHE 31 Ca 0.33 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.85 2wri h PHE 31 Cb 0.14 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2wri h PHE 31 CO -0.05 0.02 -0.08 0.87 -2.23 0.00 0.00 178.31 176.85 2wri h LYS 32 N 0.12 -0.16 -0.73 1.11 1.57 -1.90 -0.45 116.57 116.14 2wri h LYS 32 Ca 0.09 0.01 0.21 0.00 -1.87 0.00 0.00 60.65 59.09 2wri h LYS 32 Cb 0.08 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2wri h LYS 32 CO -0.12 -0.10 1.01 1.49 -0.57 0.00 0.00 179.45 181.16 2wri h GLU 33 N -0.16 0.00 0.04 3.15 4.81 -1.23 0.41 114.58 121.59 2wri h GLU 33 Ca 0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2wri h GLU 33 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2wri h GLU 33 CO -0.04 0.00 -0.02 0.93 -0.73 0.00 0.00 179.01 179.16 2wri h GLU 34 N 0.00 -0.05 -0.27 1.92 4.39 -1.01 -1.56 114.58 118.00 2wri h GLU 34 Ca 0.35 0.00 0.05 0.00 0.34 0.00 0.00 59.36 60.10 2wri h GLU 34 Cb 2.36 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 30.95 2wri h GLU 34 CO -0.00 0.58 -0.47 0.82 -1.16 0.00 0.00 179.01 178.78 2wri h ILE 35 N -0.93 0.08 -0.58 3.13 1.08 -0.18 -0.22 117.51 119.90 2wri h ILE 35 Ca -0.01 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.56 2wri h ILE 35 Cb 0.65 0.08 -0.11 0.00 -3.07 0.00 0.00 36.82 34.37 2wri h ILE 35 CO 0.01 0.00 -0.36 -0.07 -0.69 0.00 0.00 178.15 177.03 2wri h LEU 36 N -0.44 -1.26 -1.34 1.44 3.38 -1.45 0.46 115.31 116.11 2wri h LEU 36 Ca 0.09 0.23 0.46 0.00 0.09 0.00 0.00 57.88 58.75 2wri h LEU 36 Cb 0.62 0.60 -0.14 0.00 0.09 0.00 0.00 40.66 41.83 2wri h LEU 36 CO -0.50 -0.32 0.84 -0.09 0.09 0.00 0.00 178.44 178.46 2wri h ARG 37 N -0.19 0.02 0.00 1.13 2.43 0.01 0.76 114.38 118.54 2wri h ARG 37 Ca 0.21 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 2wri h ARG 37 Cb 0.56 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2wri h ARG 37 CO -0.67 0.01 -0.37 0.82 -1.51 0.00 0.00 179.97 178.25 2wri h ILE 38 N 0.02 1.28 -0.90 1.20 2.04 0.52 -2.79 117.51 118.89 2wri h ILE 38 Ca 0.87 -2.10 0.21 0.00 1.00 0.00 0.00 64.86 64.84 2wri h ILE 38 Cb 2.71 2.56 -0.12 0.00 -0.74 0.00 0.00 36.82 41.24 2wri h ILE 38 CO -0.50 0.44 0.44 -0.07 0.00 0.00 0.00 178.15 178.45 2wri h LEU 39 N -1.00 0.43 0.64 1.44 -0.00 -0.01 0.53 115.31 117.34 2wri h LEU 39 Ca -0.10 0.14 -0.03 0.00 -0.00 0.00 0.00 57.88 57.89 2wri h LEU 39 Cb 0.96 0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 41.70 2wri h LEU 39 CO -0.06 0.07 -0.38 0.00 -0.00 0.00 0.00 178.44 178.07 2wri h ALA 40 N 1.68 -1.21 0.00 1.53 0.00 -1.05 0.15 119.26 120.37 2wri h ALA 40 Ca 0.55 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2wri h ALA 40 Cb 0.99 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2wri h ALA 40 CO -0.48 -1.17 0.02 -0.09 0.00 0.00 0.00 179.25 177.53 2wri h ARG 41 N -0.95 0.00 -0.10 0.00 2.43 -0.99 -0.15 114.38 114.63 2wri h ARG 41 Ca -0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2wri h ARG 41 Cb 0.76 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 2wri h ARG 41 CO 0.10 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.95 2wri n GLU 42 N -2.99 2.15 0.00 0.20 -0.58 0.17 -4.96 120.64 114.64 2wri n GLU 42 Ca -0.03 -1.69 0.00 0.00 -0.42 0.00 0.00 57.16 55.02 2wri n GLU 42 Cb 0.08 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 2wri n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wri n GLY 43 N 1.32 2.04 0.32 0.62 0.00 -0.07 -4.93 105.19 104.50 2wri n GLY 43 Ca 0.16 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.40 2wri n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2wri h PHE 44 N 0.00 0.00 -3.97 1.61 0.04 -0.92 -3.44 116.94 110.26 2wri h PHE 44 Ca 0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 2wri h PHE 44 Cb 0.00 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.01 2wri h PHE 44 CO 0.00 0.00 -0.48 0.96 -0.60 0.00 0.00 178.31 178.20 2wri s ILE 45 N -4.08 0.16 -1.70 -0.55 -4.36 -1.18 -4.45 121.20 105.05 2wri s ILE 45 Ca -0.04 -1.42 0.30 0.00 -0.26 0.00 0.00 60.65 59.23 2wri s ILE 45 Cb 0.12 -1.45 0.57 0.00 1.25 0.00 0.00 42.46 42.96 2wri s ILE 45 CO 0.45 -0.74 1.98 0.29 0.24 0.00 0.00 174.94 177.16 2wri n LYS 46 N -0.01 0.72 0.00 0.37 5.02 -0.86 -4.48 118.16 118.93 2wri n LYS 46 Ca -0.14 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 2wri n LYS 46 Cb 0.62 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 2wri n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wri n GLY 47 N 1.22 2.98 3.33 0.72 0.00 -1.24 -4.93 105.19 107.27 2wri n GLY 47 Ca 0.16 -1.95 -0.26 0.00 0.00 0.00 0.00 46.02 43.97 2wri n GLY 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wri n TYR 48 N -1.38 0.39 -3.64 1.61 0.18 -1.26 -0.18 117.16 112.87 2wri n TYR 48 Ca 0.00 -2.52 -0.04 0.00 1.88 0.00 0.00 57.90 57.23 2wri n TYR 48 Cb 0.00 -0.09 -0.06 0.00 -0.38 0.00 0.00 39.34 38.81 2wri n TYR 48 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 2wri s GLU 49 N -3.58 0.13 0.05 -3.48 -1.05 -1.10 -4.93 118.70 104.74 2wri s GLU 49 Ca 0.15 0.13 -0.31 0.00 -0.15 0.00 0.00 54.97 54.79 2wri s GLU 49 Cb 0.01 0.06 -0.08 0.00 -0.44 0.00 0.00 34.13 33.68 2wri s GLU 49 CO 0.11 -0.02 1.62 1.03 0.95 0.00 0.00 175.26 178.94 2wri s ARG 50 N -0.15 4.21 0.04 -4.83 0.52 -1.26 -1.39 118.95 116.09 2wri s ARG 50 Ca 0.07 2.27 0.00 0.00 -0.52 0.00 0.00 55.73 57.55 2wri s ARG 50 Cb -0.04 -3.63 -0.00 0.00 0.52 0.00 0.00 34.95 31.80 2wri s ARG 50 CO -0.13 -0.72 0.01 1.33 0.02 0.00 0.00 175.30 175.81 2wri n VAL 51 N 4.78 0.00 -3.76 3.52 0.24 -0.20 -4.93 118.33 117.98 2wri n VAL 51 Ca 0.16 -0.21 -0.13 0.00 -2.04 0.00 0.00 64.34 62.12 2wri n VAL 51 Cb 0.41 0.07 -0.12 0.00 -1.47 0.00 0.00 33.84 32.73 2wri n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wri s ASP 52 N -1.22 -0.27 -0.13 -1.34 2.15 -1.26 -2.83 116.67 111.76 2wri s ASP 52 Ca 0.02 0.53 -0.03 0.00 0.43 0.00 0.00 52.55 53.49 2wri s ASP 52 Cb 0.00 0.49 0.05 0.00 -0.30 0.00 0.00 42.92 43.16 2wri s ASP 52 CO 0.01 -0.12 0.05 -0.69 -0.17 0.00 0.00 175.17 174.26 2wri s VAL 53 N 0.54 0.15 -1.42 1.11 1.01 -1.02 -4.79 120.40 115.99 2wri s VAL 53 Ca -0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 2wri s VAL 53 Cb -0.05 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.73 2wri s VAL 53 CO -0.03 -0.08 0.51 0.47 0.00 0.00 0.00 175.10 175.98 2wri n ASP 54 N 5.20 -5.68 0.00 3.32 8.00 -1.26 -1.62 116.55 124.51 2wri n ASP 54 Ca -0.07 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.19 2wri n ASP 54 Cb 0.49 -4.52 0.00 0.00 -0.02 0.00 0.00 41.12 37.07 2wri n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wri n GLY 55 N -1.42 2.13 3.62 0.44 0.00 -1.26 -4.95 105.19 103.75 2wri n GLY 55 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2wri n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wri s LYS 56 N 0.00 4.08 0.20 1.61 1.02 -0.64 -5.02 119.74 120.99 2wri s LYS 56 Ca 0.00 0.52 -0.31 0.00 0.02 0.00 0.00 55.97 56.20 2wri s LYS 56 Cb 0.00 -3.66 -0.16 0.00 -0.52 0.00 0.00 37.83 33.49 2wri s LYS 56 CO 0.00 -0.44 0.99 -0.35 -0.92 0.00 0.00 175.35 174.64 2wri n PRO 57 N 5.74 0.94 -3.85 -1.68 -0.04 -1.26 -2.43 135.00 132.42 2wri n PRO 57 Ca -0.01 0.33 -0.09 0.00 -0.04 0.00 0.00 63.50 63.69 2wri n PRO 57 Cb 0.49 -1.70 -0.06 0.00 -0.04 0.00 0.00 33.50 32.19 2wri n PRO 57 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2wri s TYR 58 N -0.59 0.16 -0.06 0.54 1.51 -1.13 -3.10 117.35 114.68 2wri s TYR 58 Ca 0.68 -0.54 0.03 0.00 -1.01 0.00 0.00 57.07 56.24 2wri s TYR 58 Cb -0.84 0.04 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 2wri s TYR 58 CO 0.56 -0.68 -0.14 -0.51 -1.11 0.00 0.00 175.55 173.67 2wri s LEU 59 N -2.89 2.74 -0.31 -1.29 1.43 0.02 -1.04 118.68 117.33 2wri s LEU 59 Ca 0.10 -0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 52.92 2wri s LEU 59 Cb 0.03 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.71 2wri s LEU 59 CO -0.06 0.32 0.09 -0.60 0.23 0.00 0.00 176.35 176.33 2wri s ARG 60 N -0.58 2.89 -0.18 1.70 3.52 -0.48 -1.68 118.95 124.13 2wri s ARG 60 Ca 0.08 -0.99 -0.19 0.00 -0.13 0.00 0.00 55.73 54.50 2wri s ARG 60 Cb -0.11 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 2wri s ARG 60 CO 0.01 -0.53 0.54 0.08 -0.81 0.00 0.00 175.30 174.59 2wri s VAL 61 N 1.45 5.10 -0.27 7.11 1.01 0.88 -2.70 120.40 132.98 2wri s VAL 61 Ca 0.01 1.02 -0.16 0.00 0.00 0.00 0.00 61.98 62.84 2wri s VAL 61 Cb -0.18 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2wri s VAL 61 CO 0.02 0.19 0.44 -0.31 0.00 0.00 0.00 175.10 175.44 2wri s TYR 62 N 1.51 3.25 0.74 5.22 2.02 0.74 -0.76 117.35 130.07 2wri s TYR 62 Ca 0.26 0.46 -0.12 0.00 -0.37 0.00 0.00 57.07 57.30 2wri s TYR 62 Cb -0.16 -2.66 0.04 0.00 -0.40 0.00 0.00 41.96 38.78 2wri s TYR 62 CO 0.10 -0.28 1.13 -0.51 -1.57 0.00 0.00 175.55 174.42 2wri s LEU 63 N 2.19 2.76 -0.00 -1.29 2.01 -0.82 -2.02 118.68 121.49 2wri s LEU 63 Ca 0.17 1.01 0.00 0.00 0.01 0.00 0.00 54.13 55.33 2wri s LEU 63 Cb -0.16 -3.70 0.00 0.00 0.01 0.00 0.00 46.19 42.35 2wri s LEU 63 CO 0.10 -1.54 -0.00 -0.75 1.01 0.00 0.00 176.35 175.17 2wri s LYS 64 N -5.44 0.07 0.29 1.70 2.20 -1.26 -4.43 119.74 112.86 2wri s LYS 64 Ca 0.59 -0.00 0.03 0.00 -0.36 0.00 0.00 55.97 56.23 2wri s LYS 64 Cb -0.11 -0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.06 2wri s LYS 64 CO 0.51 -0.01 0.17 0.71 -0.36 0.00 0.00 175.35 176.37 2wri s TYR 65 N 0.16 1.53 0.64 4.03 1.51 -1.26 -3.81 117.35 120.15 2wri s TYR 65 Ca -0.01 -1.42 -0.01 0.00 -1.01 0.00 0.00 57.07 54.62 2wri s TYR 65 Cb -0.02 -0.77 0.07 0.00 -0.11 0.00 0.00 41.96 41.12 2wri s TYR 65 CO -0.00 -0.60 0.90 0.20 -1.11 0.00 0.00 175.55 174.93 2wri s GLY 66 N -3.33 1.78 0.66 0.71 0.00 -0.57 -4.90 107.32 101.67 2wri s GLY 66 Ca 0.37 -1.37 -0.17 0.00 0.00 0.00 0.00 44.72 43.55 2wri s GLY 66 CO 0.18 -0.97 1.24 -1.55 0.00 0.00 0.00 173.10 172.00 2wri n PRO 67 N -2.63 0.98 -0.60 2.90 -0.04 -1.26 -4.37 135.00 129.97 2wri n PRO 67 Ca 0.10 0.39 -0.31 0.00 -0.04 0.00 0.00 63.50 63.64 2wri n PRO 67 Cb 0.60 -2.47 0.20 0.00 -0.04 0.00 0.00 33.50 31.79 2wri n PRO 67 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2wri n ARG 68 N -1.94 -1.89 -4.07 0.54 0.63 -1.26 -4.37 116.66 104.30 2wri n ARG 68 Ca 0.15 -0.53 -0.10 0.00 -0.92 0.00 0.00 57.85 56.45 2wri n ARG 68 Cb 0.48 -1.87 -0.11 0.00 0.45 0.00 0.00 32.46 31.42 2wri n ARG 68 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2wri s ARG 69 N -3.79 0.56 0.34 -0.14 0.52 -0.77 -4.92 118.95 110.76 2wri s ARG 69 Ca 0.61 -0.94 -0.13 0.00 -0.52 0.00 0.00 55.73 54.75 2wri s ARG 69 Cb -0.17 -0.08 -0.08 0.00 0.52 0.00 0.00 34.95 35.15 2wri s ARG 69 CO 0.66 -0.02 0.73 -0.65 0.02 0.00 0.00 175.30 176.04 2wri s GLN 70 N -2.50 3.89 0.00 3.54 -1.52 -1.26 -4.34 119.66 117.48 2wri s GLN 70 Ca -0.03 0.55 0.00 0.00 -1.95 0.00 0.00 55.36 53.92 2wri s GLN 70 Cb -0.03 -2.44 0.00 0.00 -0.22 0.00 0.00 33.01 30.32 2wri s GLN 70 CO -0.03 0.10 0.00 0.41 -0.25 0.00 0.00 175.29 175.52 2wri n GLY 71 N -0.70 -3.22 3.77 3.09 0.00 -1.26 -4.91 105.19 101.96 2wri n GLY 71 Ca 0.03 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 2wri n GLY 71 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wri s PRO 72 N -0.85 1.94 -0.53 1.61 0.02 -1.26 -4.14 135.00 131.80 2wri s PRO 72 Ca 0.00 0.84 -0.21 0.00 0.02 0.00 0.00 61.00 61.65 2wri s PRO 72 Cb 0.00 -1.89 0.03 0.00 0.02 0.00 0.00 34.50 32.66 2wri s PRO 72 CO 0.00 -1.77 0.64 -3.47 -0.33 0.00 0.00 177.00 172.07 2wri n ASP 73 N -3.56 -6.60 0.17 2.53 4.64 -1.26 -4.87 116.55 107.60 2wri n ASP 73 Ca 0.07 0.00 0.13 0.00 -1.38 0.00 0.00 54.79 53.62 2wri n ASP 73 Cb 0.55 -3.47 0.43 0.00 -1.04 0.00 0.00 41.12 37.59 2wri n ASP 73 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2wri h PRO 74 N 1.56 0.00 -3.61 -0.67 0.13 -1.76 -3.47 132.00 124.18 2wri h PRO 74 Ca -0.30 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.31 2wri h PRO 74 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 2wri h PRO 74 CO 0.24 0.00 0.34 0.54 -0.23 0.00 0.00 178.00 178.89 2wri n ARG 75 N -2.57 0.00 -0.72 0.86 1.74 -1.26 -1.84 116.66 112.86 2wri n ARG 75 Ca 0.03 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.78 2wri n ARG 75 Cb 0.37 -0.90 0.15 0.00 -1.02 0.00 0.00 32.46 31.06 2wri n ARG 75 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2wri n PRO 76 N 2.10 -1.33 -2.99 5.56 -0.04 -1.26 -4.76 135.00 132.27 2wri n PRO 76 Ca 0.17 -0.37 -0.31 0.00 -0.04 0.00 0.00 63.50 62.95 2wri n PRO 76 Cb -0.02 -1.61 -0.05 0.00 -0.04 0.00 0.00 33.50 31.79 2wri n PRO 76 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2wri s GLU 77 N -3.25 3.88 0.50 0.54 2.12 -1.26 -4.88 118.70 116.36 2wri s GLU 77 Ca 0.53 0.56 -0.14 0.00 0.36 0.00 0.00 54.97 56.28 2wri s GLU 77 Cb -0.09 -2.41 -0.07 0.00 0.26 0.00 0.00 34.13 31.82 2wri s GLU 77 CO 0.66 0.06 0.93 -0.65 -0.54 0.00 0.00 175.26 175.72 2wri s GLN 78 N -3.43 3.83 -0.11 4.30 -1.52 -1.26 -1.52 119.66 119.95 2wri s GLN 78 Ca 0.53 0.76 0.00 0.00 -1.95 0.00 0.00 55.36 54.70 2wri s GLN 78 Cb -0.10 -2.21 -0.25 0.00 -0.22 0.00 0.00 33.01 30.24 2wri s GLN 78 CO 0.25 -0.25 0.39 0.28 -0.25 0.00 0.00 175.29 175.70 2wri n VAL 79 N -1.72 1.70 -3.47 1.09 0.31 -1.25 -4.52 118.33 110.47 2wri n VAL 79 Ca 0.05 -0.70 -0.43 0.00 -0.01 0.00 0.00 64.34 63.26 2wri n VAL 79 Cb 0.54 -1.47 -0.04 0.00 -0.91 0.00 0.00 33.84 31.96 2wri n VAL 79 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2wri s ILE 80 N -2.56 5.03 0.23 2.52 1.01 -1.26 -4.90 121.20 121.26 2wri s ILE 80 Ca -0.18 -2.94 0.05 0.00 0.00 0.00 0.00 60.65 57.58 2wri s ILE 80 Cb 0.07 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 2wri s ILE 80 CO 0.77 -1.02 1.53 0.45 0.00 0.00 0.00 174.94 176.67 2wri h HIS 81 N 7.17 0.25 -2.85 3.97 3.86 -1.46 -3.45 115.15 122.64 2wri h HIS 81 Ca 0.10 -0.10 -0.15 0.00 -1.16 0.00 0.00 60.37 59.05 2wri h HIS 81 Cb 0.96 -0.04 -0.27 0.00 1.06 0.00 0.00 27.41 29.12 2wri h HIS 81 CO 0.87 0.79 -0.37 -1.58 0.86 0.00 0.00 177.93 178.51 2wri s HIS 82 N -3.61 -0.45 -0.12 2.45 5.65 0.10 -5.02 115.29 114.30 2wri s HIS 82 Ca -0.03 1.01 -0.05 0.00 0.25 0.00 0.00 55.06 56.24 2wri s HIS 82 Cb 0.12 0.15 0.06 0.00 -1.18 0.00 0.00 32.58 31.73 2wri s HIS 82 CO 0.80 -0.26 0.25 -1.50 -0.65 0.00 0.00 174.74 173.38 2wri s ILE 83 N 0.99 -0.31 -0.13 0.89 1.10 -1.26 -1.88 121.20 120.61 2wri s ILE 83 Ca -0.07 0.25 -0.09 0.00 -0.51 0.00 0.00 60.65 60.24 2wri s ILE 83 Cb -0.07 -0.42 0.04 0.00 0.15 0.00 0.00 42.46 42.16 2wri s ILE 83 CO -0.07 0.10 0.32 -0.60 -2.11 0.00 0.00 174.94 172.58 2wri s ARG 84 N 2.11 0.32 0.05 3.50 3.52 -1.12 -4.96 118.95 122.36 2wri s ARG 84 Ca -0.01 0.56 -0.31 0.00 -0.13 0.00 0.00 55.73 55.84 2wri s ARG 84 Cb -0.12 0.03 -0.07 0.00 -1.56 0.00 0.00 34.95 33.24 2wri s ARG 84 CO -0.08 -0.11 1.40 0.50 -0.81 0.00 0.00 175.30 176.20 2wri s ARG 85 N 0.84 4.30 -0.07 5.12 3.52 -1.26 -2.80 118.95 128.61 2wri s ARG 85 Ca -0.06 2.02 -0.03 0.00 -0.13 0.00 0.00 55.73 57.54 2wri s ARG 85 Cb -0.06 -3.43 -0.01 0.00 -1.56 0.00 0.00 34.95 29.88 2wri s ARG 85 CO -0.06 -0.51 -0.06 0.82 -0.81 0.00 0.00 175.30 174.68 2wri h ILE 86 N 4.62 0.00 -3.34 4.11 1.08 -1.70 -3.47 117.51 118.82 2wri h ILE 86 Ca -0.40 -0.54 -0.56 0.00 -0.39 0.00 0.00 64.86 62.97 2wri h ILE 86 Cb 1.19 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.89 2wri h ILE 86 CO 0.88 0.00 0.03 -0.55 -0.69 0.00 0.00 178.15 177.83 2wri s SER 87 N -4.58 7.03 0.18 1.72 0.15 -1.16 -4.90 113.70 112.13 2wri s SER 87 Ca -0.05 1.22 0.05 0.00 0.70 0.00 0.00 55.95 57.87 2wri s SER 87 Cb 0.01 -2.39 -0.05 0.00 -1.71 0.00 0.00 66.02 61.88 2wri s SER 87 CO 0.08 0.06 -0.08 -0.54 1.20 0.00 0.00 173.24 173.95 2wri s LYS 88 N -0.07 1.17 0.65 5.44 1.02 -1.12 -4.92 119.74 121.91 2wri s LYS 88 Ca 0.33 -1.53 0.39 0.00 0.02 0.00 0.00 55.97 55.18 2wri s LYS 88 Cb -0.19 -0.71 2.13 0.00 -0.52 0.00 0.00 37.83 38.55 2wri s LYS 88 CO 0.18 0.05 2.24 -1.00 -0.92 0.00 0.00 175.35 175.91 2wri h PRO 89 N 2.67 0.00 0.48 -1.68 0.13 -1.97 -1.91 132.00 129.71 2wri h PRO 89 Ca -0.37 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 2wri h PRO 89 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wri h PRO 89 CO 0.64 0.00 -0.23 0.78 -0.23 0.00 0.00 178.00 178.96 2wri h GLY 90 N 0.00 -0.67 -7.11 1.56 0.00 -1.99 -3.42 103.07 91.45 2wri h GLY 90 Ca 0.01 0.25 -0.50 0.00 0.00 0.00 0.00 47.33 47.08 2wri h GLY 90 CO -0.00 -0.24 -0.76 -1.60 0.00 0.00 0.00 176.54 173.94 2wri s ARG 91 N -4.56 0.37 0.71 4.80 3.00 -0.73 -5.14 118.95 117.39 2wri s ARG 91 Ca -0.14 -0.37 -0.11 0.00 -1.00 0.00 0.00 55.73 54.12 2wri s ARG 91 Cb 0.02 -1.86 0.02 0.00 0.00 0.00 0.00 34.95 33.13 2wri s ARG 91 CO 0.47 -0.74 1.07 1.03 0.00 0.00 0.00 175.30 177.13 2wri s ARG 92 N 1.98 2.83 -0.04 5.12 1.81 -1.12 -2.81 118.95 126.72 2wri s ARG 92 Ca 0.03 0.99 0.02 0.00 -1.72 0.00 0.00 55.73 55.05 2wri s ARG 92 Cb -0.17 -1.97 0.01 0.00 -0.45 0.00 0.00 34.95 32.37 2wri s ARG 92 CO -0.14 -1.19 -0.08 0.08 -0.68 0.00 0.00 175.30 173.29 2wri s VAL 93 N -3.01 0.79 -0.04 3.52 1.01 -1.26 -4.91 120.40 116.50 2wri s VAL 93 Ca 0.59 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.29 2wri s VAL 93 Cb -0.15 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.49 2wri s VAL 93 CO 0.55 0.27 -0.13 -0.31 0.00 0.00 0.00 175.10 175.48 2wri s TYR 94 N 0.60 1.31 -0.03 5.22 2.02 -1.26 -1.91 117.35 123.30 2wri s TYR 94 Ca -0.10 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.25 2wri s TYR 94 Cb -0.13 -0.91 0.01 0.00 -0.40 0.00 0.00 41.96 40.53 2wri s TYR 94 CO 0.01 -0.14 -0.06 0.14 -1.57 0.00 0.00 175.55 173.94 2wri s VAL 95 N 0.16 0.57 0.54 0.71 -7.23 -0.24 -4.98 120.40 109.94 2wri s VAL 95 Ca -0.04 -0.21 -0.17 0.00 -1.81 0.00 0.00 61.98 59.76 2wri s VAL 95 Cb -0.10 -0.55 -0.06 0.00 0.56 0.00 0.00 36.38 36.22 2wri s VAL 95 CO 0.01 0.21 1.02 -0.83 -0.31 0.00 0.00 175.10 175.20 2wri s GLY 96 N 0.51 2.12 0.35 2.32 0.00 -1.26 -1.45 107.32 109.92 2wri s GLY 96 Ca -0.07 0.30 0.17 0.00 0.00 0.00 0.00 44.72 45.12 2wri s GLY 96 CO 0.00 0.59 1.55 1.55 0.00 0.00 0.00 173.10 176.80 2wri n VAL 97 N -1.71 -0.41 0.13 1.40 3.14 -1.26 0.14 118.33 119.75 2wri n VAL 97 Ca 0.08 2.03 -0.02 0.00 -2.96 0.00 0.00 64.34 63.47 2wri n VAL 97 Cb 0.53 -3.23 0.18 0.00 -1.06 0.00 0.00 33.84 30.26 2wri n VAL 97 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2wri h LYS 98 N 0.00 0.07 0.01 1.45 1.57 -1.91 -3.26 116.57 114.49 2wri h LYS 98 Ca 0.79 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 59.33 2wri h LYS 98 Cb 2.04 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 34.33 2wri h LYS 98 CO -0.79 0.63 -0.93 0.93 -0.57 0.00 0.00 179.45 178.72 2wri h GLU 99 N 0.05 0.03 -3.11 3.15 5.08 0.91 -3.48 114.58 117.21 2wri h GLU 99 Ca -0.00 -0.04 -0.39 0.00 -1.00 0.00 0.00 59.36 57.92 2wri h GLU 99 Cb 1.03 0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.33 2wri h GLU 99 CO 0.08 0.94 -0.05 -0.89 -1.00 0.00 0.00 179.01 178.08 2wri n ILE 100 N -3.47 0.29 -1.02 3.13 5.41 -0.91 -4.91 119.36 117.88 2wri n ILE 100 Ca -0.01 -0.07 -0.29 0.00 1.00 0.00 0.00 62.75 63.38 2wri n ILE 100 Cb 0.87 0.00 0.19 0.00 -0.71 0.00 0.00 39.64 39.99 2wri n ILE 100 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2wri s PRO 101 N -0.14 0.30 -0.55 0.38 0.02 -1.26 -5.03 135.00 128.71 2wri s PRO 101 Ca 0.43 0.69 0.06 0.00 0.02 0.00 0.00 61.00 62.20 2wri s PRO 101 Cb -0.61 -1.71 0.21 0.00 0.02 0.00 0.00 34.50 32.42 2wri s PRO 101 CO 0.29 -2.86 0.55 0.54 -0.33 0.00 0.00 177.00 175.19 2wri n ARG 102 N -4.29 1.43 -1.61 5.54 3.00 -1.26 -4.95 116.66 114.51 2wri n ARG 102 Ca 0.05 -3.97 -0.49 0.00 -0.01 0.00 0.00 57.85 53.44 2wri n ARG 102 Cb 0.56 -1.89 -0.05 0.00 0.00 0.00 0.00 32.46 31.09 2wri n ARG 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2wri n VAL 103 N 1.67 0.42 -3.60 1.55 0.31 -1.26 -3.40 118.33 114.01 2wri n VAL 103 Ca 0.25 -0.10 -0.22 0.00 -0.01 0.00 0.00 64.34 64.26 2wri n VAL 103 Cb 0.44 -1.06 0.01 0.00 -0.91 0.00 0.00 33.84 32.31 2wri n VAL 103 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wri n ARG 104 N 2.38 -1.58 -1.86 5.55 3.00 -1.26 -2.41 116.66 120.47 2wri n ARG 104 Ca 0.16 1.01 0.00 0.00 -0.00 0.00 0.00 57.85 59.02 2wri n ARG 104 Cb 0.24 -2.95 0.00 0.00 0.00 0.00 0.00 32.46 29.76 2wri n ARG 104 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2wri n ARG 105 N -2.10 -0.79 0.00 -0.14 3.00 -1.22 0.22 116.66 115.64 2wri n ARG 105 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.63 2wri n ARG 105 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.11 2wri n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wri n GLY 106 N -0.73 3.11 0.22 5.14 0.00 -1.01 -4.94 105.19 106.97 2wri n GLY 106 Ca 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 2wri n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wri h LEU 107 N 0.00 0.63 -9.88 0.99 3.38 0.27 -3.45 115.31 107.25 2wri h LEU 107 Ca 0.00 -0.13 -0.53 0.00 0.09 0.00 0.00 57.88 57.31 2wri h LEU 107 Cb 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2wri h LEU 107 CO 0.00 0.57 -0.00 -0.83 0.09 0.00 0.00 178.44 178.27 2wri s GLY 108 N -2.91 2.48 0.57 0.83 0.00 -1.02 -4.99 107.32 102.28 2wri s GLY 108 Ca -0.13 -0.02 -0.05 0.00 0.00 0.00 0.00 44.72 44.51 2wri s GLY 108 CO 0.76 0.26 0.87 -1.50 0.00 0.00 0.00 173.10 173.49 2wri s ILE 109 N -1.58 3.80 -0.39 0.90 2.07 -0.41 -4.08 121.20 121.51 2wri s ILE 109 Ca 0.42 -0.02 0.04 0.00 -1.41 0.00 0.00 60.65 59.69 2wri s ILE 109 Cb -0.15 -3.49 0.16 0.00 0.13 0.00 0.00 42.46 39.12 2wri s ILE 109 CO 0.20 -0.49 0.45 0.00 -1.91 0.00 0.00 174.94 173.19 2wri s ALA 110 N -2.93 -0.82 0.51 1.50 0.00 -1.26 -1.41 121.76 117.35 2wri s ALA 110 Ca 0.53 -0.82 -0.22 0.00 0.00 0.00 0.00 51.96 51.46 2wri s ALA 110 Cb -0.10 -2.21 -0.07 0.00 0.00 0.00 0.00 23.12 20.73 2wri s ALA 110 CO 0.45 -2.16 1.06 -0.89 0.00 0.00 0.00 175.76 174.21 2wri n ILE 111 N 4.07 3.14 -3.64 0.00 5.41 -1.22 -2.45 119.36 124.68 2wri n ILE 111 Ca 0.13 -0.50 -0.10 0.00 1.00 0.00 0.00 62.75 63.28 2wri n ILE 111 Cb 0.48 -1.26 -0.07 0.00 -0.71 0.00 0.00 39.64 38.08 2wri n ILE 111 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 2wri s LEU 112 N -1.64 -0.75 -0.02 1.39 2.34 -0.53 -2.51 118.68 116.95 2wri s LEU 112 Ca 0.69 1.35 -0.22 0.00 0.06 0.00 0.00 54.13 56.01 2wri s LEU 112 Cb -0.47 2.31 -0.05 0.00 -0.56 0.00 0.00 46.19 47.42 2wri s LEU 112 CO 0.52 -0.22 0.65 -0.55 -1.06 0.00 0.00 176.35 175.68 2wri s SER 113 N 0.82 7.00 0.29 1.48 0.15 0.11 -2.35 113.70 121.20 2wri s SER 113 Ca -0.03 1.20 0.02 0.00 0.70 0.00 0.00 55.95 57.84 2wri s SER 113 Cb -0.05 -2.39 -0.06 0.00 -1.71 0.00 0.00 66.02 61.81 2wri s SER 113 CO -0.08 0.02 0.08 0.42 1.20 0.00 0.00 173.24 174.88 2wri s THR 114 N 0.15 0.86 -1.61 6.45 -4.23 -0.48 -0.95 115.64 115.83 2wri s THR 114 Ca 0.34 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.92 2wri s THR 114 Cb -0.18 -2.71 0.15 0.00 1.34 0.00 0.00 72.50 71.09 2wri s THR 114 CO 0.18 0.00 1.02 -1.54 -0.54 0.00 0.00 174.62 173.74 2wri n SER 115 N -0.57 0.00 -2.78 3.99 3.41 -1.26 -1.82 113.62 114.58 2wri n SER 115 Ca -0.01 0.06 -0.28 0.00 -0.26 0.00 0.00 58.87 58.38 2wri n SER 115 Cb 0.66 -0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 64.40 2wri n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wri n LYS 116 N -1.20 3.37 0.00 4.33 5.02 -1.26 -5.08 118.16 123.34 2wri n LYS 116 Ca 0.04 -4.70 0.00 0.00 -2.02 0.00 0.00 58.31 51.63 2wri n LYS 116 Cb 0.05 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 2wri n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wri n GLY 117 N -0.34 -1.29 3.69 0.72 0.00 -0.76 -4.77 105.19 102.45 2wri n GLY 117 Ca 0.35 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.84 2wri n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wri s VAL 118 N 0.00 5.25 0.38 1.61 1.01 -1.26 -1.38 120.40 126.01 2wri s VAL 118 Ca 0.00 0.62 0.06 0.00 0.00 0.00 0.00 61.98 62.66 2wri s VAL 118 Cb 0.00 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 2wri s VAL 118 CO 0.00 0.31 0.21 -0.76 0.00 0.00 0.00 175.10 174.86 2wri s LEU 119 N 0.96 1.88 0.43 3.92 1.43 -0.99 -5.00 118.68 121.31 2wri s LEU 119 Ca 0.18 -1.75 0.08 0.00 -1.03 0.00 0.00 54.13 51.60 2wri s LEU 119 Cb -0.14 0.22 -0.02 0.00 0.03 0.00 0.00 46.19 46.29 2wri s LEU 119 CO 0.06 -1.02 0.37 0.42 0.23 0.00 0.00 176.35 176.41 2wri s THR 120 N -3.29 2.54 0.00 5.49 -4.23 -1.26 -1.46 115.64 113.43 2wri s THR 120 Ca 0.31 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 2wri s THR 120 Cb 0.02 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.94 2wri s THR 120 CO 0.21 0.00 0.83 -0.90 -0.54 0.00 0.00 174.62 174.22 2wri n ASP 121 N -1.55 0.00 -0.32 3.99 5.75 -1.02 -1.79 116.55 121.61 2wri n ASP 121 Ca 0.03 0.83 0.11 0.00 -0.01 0.00 0.00 54.79 55.74 2wri n ASP 121 Cb 0.62 -0.33 0.22 0.00 -1.03 0.00 0.00 41.12 40.60 2wri n ASP 121 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wri n ARG 122 N -1.93 -0.08 0.22 0.11 1.74 -1.26 -1.00 116.66 114.47 2wri n ARG 122 Ca 0.00 1.37 -0.14 0.00 -0.77 0.00 0.00 57.85 58.31 2wri n ARG 122 Cb 0.00 -2.13 -0.07 0.00 -1.02 0.00 0.00 32.46 29.24 2wri n ARG 122 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2wri h GLU 123 N 0.00 -0.73 0.00 5.56 5.08 -1.83 -2.11 114.58 120.56 2wri h GLU 123 Ca 0.51 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.92 2wri h GLU 123 Cb 0.96 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2wri h GLU 123 CO -0.88 -0.48 0.00 0.00 -1.00 0.00 0.00 179.01 176.65 2wri n ALA 124 N -2.67 1.65 0.09 3.43 0.00 -0.55 -1.11 120.51 121.35 2wri n ALA 124 Ca -0.09 0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 2wri n ALA 124 Cb 0.34 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 2wri n ALA 124 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wri h ARG 125 N 0.00 0.03 0.00 0.00 2.43 -0.86 -1.54 114.38 114.44 2wri h ARG 125 Ca 0.00 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 2wri h ARG 125 Cb 0.35 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2wri h ARG 125 CO 0.00 0.88 -0.21 -0.22 -1.51 0.00 0.00 179.97 178.91 2wri h LYS 126 N 0.02 0.00 -0.05 0.20 3.64 -0.42 -3.03 116.57 116.93 2wri h LYS 126 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2wri h LYS 126 Cb 1.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 2wri h LYS 126 CO 0.12 0.21 0.00 1.28 -2.27 0.00 0.00 179.45 178.78 2wri n LEU 127 N -3.19 2.47 -3.08 5.20 7.99 -0.98 -4.96 117.00 120.45 2wri n LEU 127 Ca 0.02 -0.85 -0.17 0.00 -0.01 0.00 0.00 56.01 55.01 2wri n LEU 127 Cb 0.56 -0.02 0.07 0.00 -0.11 0.00 0.00 43.42 43.92 2wri n LEU 127 CO 0.35 0.42 0.15 0.61 -1.51 0.00 0.00 177.39 177.41 2wri n GLY 128 N 1.29 -0.27 3.18 -0.72 0.00 -1.04 -5.02 105.19 102.61 2wri n GLY 128 Ca 0.16 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 2wri n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wri s VAL 129 N -3.29 0.72 0.32 1.61 -7.23 -0.61 -4.89 120.40 107.03 2wri s VAL 129 Ca 0.23 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.48 2wri s VAL 129 Cb -0.10 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 2wri s VAL 129 CO 0.61 -0.83 0.13 -0.83 -0.31 0.00 0.00 175.10 173.87 2wri s GLY 130 N -3.06 2.09 0.00 2.32 0.00 -1.26 -4.14 107.32 103.27 2wri s GLY 130 Ca 0.13 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.12 2wri s GLY 130 CO -0.04 -1.66 0.00 0.61 0.00 0.00 0.00 173.10 172.01 2wri n GLY 131 N -0.63 0.86 3.72 0.20 0.00 -0.53 -4.51 105.19 104.31 2wri n GLY 131 Ca -0.01 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2wri n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wri s GLU 132 N 1.14 4.55 -0.10 1.61 2.12 -0.13 -1.08 118.70 126.82 2wri s GLU 132 Ca 0.00 1.64 -0.23 0.00 0.36 0.00 0.00 54.97 56.74 2wri s GLU 132 Cb 0.00 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 2wri s GLU 132 CO 0.00 -0.04 0.70 -1.17 -0.54 0.00 0.00 175.26 174.21 2wri s LEU 133 N 0.40 4.27 -0.19 2.70 0.20 -0.80 0.05 118.68 125.32 2wri s LEU 133 Ca 0.52 1.12 -0.18 0.00 0.69 0.00 0.00 54.13 56.29 2wri s LEU 133 Cb -0.27 -3.06 -0.21 0.00 -0.43 0.00 0.00 46.19 42.22 2wri s LEU 133 CO 0.31 -0.17 0.25 -0.38 -0.29 0.00 0.00 176.35 176.07 2wri n ILE 134 N 4.01 1.60 -2.84 6.68 2.08 -1.05 -2.99 119.36 126.86 2wri n ILE 134 Ca -0.01 -0.20 0.00 0.00 0.56 0.00 0.00 62.75 63.10 2wri n ILE 134 Cb 0.51 -1.96 0.00 0.00 -0.75 0.00 0.00 39.64 37.44 2wri n ILE 134 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wri s GLU 136 N 0.96 0.87 -0.06 0.00 -1.05 -1.12 -3.40 118.70 114.91 2wri s GLU 136 Ca 0.00 0.04 -0.03 0.00 -0.15 0.00 0.00 54.97 54.82 2wri s GLU 136 Cb 0.00 0.40 0.03 0.00 -0.44 0.00 0.00 34.13 34.12 2wri s GLU 136 CO 0.00 -0.26 0.13 0.08 0.95 0.00 0.00 175.26 176.16 2wri s VAL 137 N -1.27 -0.03 0.00 1.83 1.01 -0.50 -2.81 120.40 118.64 2wri s VAL 137 Ca -0.12 0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2wri s VAL 137 Cb -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.15 2wri s VAL 137 CO 0.07 0.04 0.00 -2.67 0.00 0.00 0.00 175.10 172.54