#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5l s LEU 2 N 0.00 4.30 -0.25 -0.89 0.20 -1.26 -4.86 118.68 115.92 2e5l s LEU 2 Ca 0.00 2.14 -0.00 0.00 0.69 0.00 0.00 54.13 56.96 2e5l s LEU 2 Cb 0.00 -3.54 -0.17 0.00 -0.43 0.00 0.00 46.19 42.05 2e5l s LEU 2 CO 0.00 -0.89 -0.19 1.07 -0.29 0.00 0.00 176.35 176.05 2e5l n THR 3 N 5.41 1.52 -3.88 3.68 5.66 -1.26 -4.87 114.28 120.53 2e5l n THR 3 Ca 0.16 -0.56 -0.30 0.00 -3.05 0.00 0.00 64.05 60.31 2e5l n THR 3 Cb 0.43 -1.49 -0.16 0.00 -1.55 0.00 0.00 70.33 67.56 2e5l n THR 3 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2e5l s ASP 4 N -6.65 3.76 0.07 1.09 -1.08 -1.26 -5.05 116.67 107.56 2e5l s ASP 4 Ca -0.34 -1.24 -0.37 0.00 -0.52 0.00 0.00 52.55 50.08 2e5l s ASP 4 Cb 0.09 -1.06 -0.20 0.00 -1.46 0.00 0.00 42.92 40.30 2e5l s ASP 4 CO 0.60 -0.28 1.57 -0.65 0.52 0.00 0.00 175.17 176.93 2e5l h PRO 5 N 8.00 -1.19 -0.76 4.34 0.11 -1.99 -2.05 132.00 138.46 2e5l h PRO 5 Ca -0.16 0.08 0.04 0.00 0.11 0.00 0.00 66.00 66.07 2e5l h PRO 5 Cb 1.07 0.27 -0.05 0.00 0.11 0.00 0.00 31.00 32.40 2e5l h PRO 5 CO 0.41 -0.80 0.47 0.82 -0.21 0.00 0.00 178.00 178.70 2e5l h ILE 6 N -1.24 1.08 -0.70 4.15 1.08 -1.99 0.40 117.51 120.30 2e5l h ILE 6 Ca -0.11 -0.31 -0.04 0.00 -0.39 0.00 0.00 64.86 64.01 2e5l h ILE 6 Cb 0.99 0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 2e5l h ILE 6 CO 0.12 0.16 0.26 0.00 -0.69 0.00 0.00 178.15 178.00 2e5l h ALA 7 N 1.34 1.15 -0.44 1.87 0.00 -1.97 0.31 119.26 121.51 2e5l h ALA 7 Ca 0.31 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2e5l h ALA 7 Cb 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2e5l h ALA 7 CO -0.13 0.61 0.06 0.22 0.00 0.00 0.00 179.25 180.01 2e5l h ASP 8 N 1.01 0.64 0.33 0.00 3.58 -0.53 0.19 116.42 121.65 2e5l h ASP 8 Ca 0.23 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 2e5l h ASP 8 Cb 0.22 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2e5l h ASP 8 CO -0.02 0.67 -0.16 -0.03 -2.88 0.00 0.00 179.24 176.83 2e5l h MET 9 N 0.66 -0.43 -0.97 0.28 4.05 0.14 -0.44 114.93 118.22 2e5l h MET 9 Ca 0.14 0.03 0.18 0.00 -0.28 0.00 0.00 59.70 59.77 2e5l h MET 9 Cb 0.32 0.10 -0.18 0.00 -0.80 0.00 0.00 31.60 31.04 2e5l h MET 9 CO 0.01 -0.29 -0.30 -0.07 0.23 0.00 0.00 176.91 176.49 2e5l h LEU 10 N -0.55 -1.10 -2.07 3.39 3.38 -0.88 0.58 115.31 118.06 2e5l h LEU 10 Ca -0.05 0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2e5l h LEU 10 Cb 0.34 0.66 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 2e5l h LEU 10 CO 0.07 -0.31 -0.05 0.74 0.09 0.00 0.00 178.44 178.98 2e5l h THR 11 N -0.00 0.25 0.01 0.22 2.02 -0.59 0.57 112.91 115.38 2e5l h THR 11 Ca 0.42 -0.39 -0.22 0.00 0.77 0.00 0.00 66.41 66.99 2e5l h THR 11 Cb 0.67 1.30 -0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2e5l h THR 11 CO -0.99 0.05 -0.93 0.03 0.37 0.00 0.00 175.52 174.05 2e5l h ARG 12 N 0.00 0.32 -0.07 6.66 3.08 0.19 -2.18 114.38 122.38 2e5l h ARG 12 Ca -0.00 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 2e5l h ARG 12 Cb 0.30 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 2e5l h ARG 12 CO 0.01 1.05 -0.05 0.82 -1.07 0.00 0.00 179.97 180.73 2e5l h ILE 13 N 0.18 1.34 0.91 2.04 2.04 -0.07 -2.47 117.51 121.48 2e5l h ILE 13 Ca -0.07 -1.11 -0.04 0.00 1.00 0.00 0.00 64.86 64.64 2e5l h ILE 13 Cb 1.57 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.58 2e5l h ILE 13 CO 0.15 0.31 -0.49 -0.09 0.00 0.00 0.00 178.15 178.04 2e5l h ARG 14 N -0.23 -1.24 0.00 2.37 2.43 -0.99 -2.27 114.38 114.45 2e5l h ARG 14 Ca 0.02 0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2e5l h ARG 14 Cb 0.52 0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2e5l h ARG 14 CO 0.01 -0.82 0.42 -0.97 -1.51 0.00 0.00 179.97 177.10 2e5l h ASN 15 N -1.28 0.00 0.00 -3.80 -1.24 -1.38 -1.73 115.58 106.15 2e5l h ASN 15 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.89 2e5l h ASN 15 Cb 1.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.05 2e5l h ASN 15 CO 0.17 0.00 -0.38 0.00 -1.29 0.00 0.00 177.43 175.93 2e5l h ALA 16 N 0.94 0.00 -0.85 1.57 0.00 -0.93 -3.37 119.26 116.63 2e5l h ALA 16 Ca 0.00 -0.42 0.20 0.00 0.00 0.00 0.00 54.91 54.69 2e5l h ALA 16 Cb 0.83 0.38 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 2e5l h ALA 16 CO 0.00 0.38 -0.05 1.79 0.00 0.00 0.00 179.25 181.37 2e5l h THR 17 N -0.82 0.20 -1.10 0.00 1.35 -0.93 0.35 112.91 111.96 2e5l h THR 17 Ca 0.00 -0.02 0.31 0.00 -0.55 0.00 0.00 66.41 66.15 2e5l h THR 17 Cb 0.38 0.14 -0.07 0.00 -1.73 0.00 0.00 68.15 66.87 2e5l h THR 17 CO 0.00 0.01 0.76 -0.09 -0.25 0.00 0.00 175.52 175.95 2e5l h ARG 18 N 0.05 0.17 -0.28 4.72 9.65 -1.68 2.00 114.38 129.01 2e5l h ARG 18 Ca 0.46 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.33 2e5l h ARG 18 Cb 0.83 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.37 2e5l h ARG 18 CO -0.80 0.11 0.00 1.33 2.80 0.00 0.00 179.97 183.42 2e5l n VAL 19 N -4.40 0.45 -3.18 0.20 0.24 0.99 -5.01 118.33 107.61 2e5l n VAL 19 Ca 0.25 -0.73 -0.14 0.00 -2.04 0.00 0.00 64.34 61.69 2e5l n VAL 19 Cb 1.07 0.98 0.06 0.00 -1.47 0.00 0.00 33.84 34.48 2e5l n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2e5l n TYR 20 N 1.11 -2.43 -3.15 6.34 4.01 0.68 -5.03 117.16 118.69 2e5l n TYR 20 Ca 0.15 0.85 -0.32 0.00 -0.16 0.00 0.00 57.90 58.42 2e5l n TYR 20 Cb 0.50 -4.08 -0.05 0.00 -0.31 0.00 0.00 39.34 35.40 2e5l n TYR 20 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2e5l s LYS 21 N -4.26 3.92 0.05 -0.72 -0.14 -1.15 -4.98 119.74 112.46 2e5l s LYS 21 Ca 0.42 0.54 -0.19 0.00 -1.36 0.00 0.00 55.97 55.38 2e5l s LYS 21 Cb -0.05 -2.47 -0.13 0.00 -1.68 0.00 0.00 37.83 33.50 2e5l s LYS 21 CO 0.72 0.15 1.36 1.49 -0.76 0.00 0.00 175.35 178.31 2e5l h GLU 22 N 2.12 0.44 -3.90 1.68 4.81 -1.95 -3.43 114.58 114.36 2e5l h GLU 22 Ca -0.48 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 58.42 2e5l h GLU 22 Cb 1.18 0.01 -0.14 0.00 0.63 0.00 0.00 28.75 30.43 2e5l h GLU 22 CO 0.66 0.81 -0.40 0.45 -0.73 0.00 0.00 179.01 179.80 2e5l s SER 23 N -6.24 0.14 -0.06 1.04 0.15 -1.26 -1.92 113.70 105.54 2e5l s SER 23 Ca -0.14 -0.77 -0.02 0.00 0.70 0.00 0.00 55.95 55.72 2e5l s SER 23 Cb 0.06 0.35 0.04 0.00 -1.71 0.00 0.00 66.02 64.76 2e5l s SER 23 CO 0.77 -0.76 0.12 0.28 1.20 0.00 0.00 173.24 174.85 2e5l s THR 24 N -3.91 -0.10 0.64 6.45 -1.32 0.13 -4.96 115.64 112.58 2e5l s THR 24 Ca 0.10 0.24 -0.15 0.00 -1.21 0.00 0.00 61.69 60.67 2e5l s THR 24 Cb 0.05 -0.22 -0.01 0.00 -1.51 0.00 0.00 72.50 70.81 2e5l s THR 24 CO -0.07 0.10 1.09 -1.81 -2.21 0.00 0.00 174.62 171.72 2e5l s ASP 25 N 1.47 5.35 -0.29 8.08 -0.00 -1.26 -1.75 116.67 128.27 2e5l s ASP 25 Ca -0.05 1.90 -0.16 0.00 -0.00 0.00 0.00 52.55 54.23 2e5l s ASP 25 Cb -0.12 -2.54 0.13 0.00 -0.00 0.00 0.00 42.92 40.39 2e5l s ASP 25 CO -0.05 -1.46 0.92 0.54 -0.00 0.00 0.00 175.17 175.12 2e5l s VAL 26 N -2.46 0.00 0.43 -1.27 0.11 -1.12 -4.94 120.40 111.15 2e5l s VAL 26 Ca 0.65 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 59.47 2e5l s VAL 26 Cb -0.18 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.55 2e5l s VAL 26 CO 0.41 0.00 0.60 -2.65 -3.33 0.00 0.00 175.10 170.13 2e5l n PRO 27 N 3.80 0.65 -3.94 1.54 -0.02 -1.26 -0.46 135.00 135.31 2e5l n PRO 27 Ca -0.19 0.24 -0.21 0.00 -2.02 0.00 0.00 63.50 61.32 2e5l n PRO 27 Cb 0.58 -1.58 -0.02 0.00 -0.02 0.00 0.00 33.50 32.46 2e5l n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2e5l s ALA 28 N -1.46 3.88 -0.29 3.55 0.00 -0.64 -4.57 121.76 122.23 2e5l s ALA 28 Ca 0.64 -1.32 -0.24 0.00 0.00 0.00 0.00 51.96 51.04 2e5l s ALA 28 Cb -0.59 -1.60 0.16 0.00 0.00 0.00 0.00 23.12 21.09 2e5l s ALA 28 CO 0.58 0.20 1.23 -1.54 0.00 0.00 0.00 175.76 176.23 2e5l s SER 29 N -3.97 -0.25 0.00 0.00 1.04 -1.26 -4.96 113.70 104.30 2e5l s SER 29 Ca 0.35 0.47 0.00 0.00 0.48 0.00 0.00 55.95 57.25 2e5l s SER 29 Cb -0.09 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2e5l s SER 29 CO 0.28 -0.08 0.00 0.54 0.98 0.00 0.00 173.24 174.96 2e5l n ARG 30 N 2.11 0.00 0.03 4.02 5.12 -1.26 -0.75 116.66 125.93 2e5l n ARG 30 Ca -0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 2e5l n ARG 30 Cb 0.56 -0.89 0.00 0.00 -1.16 0.00 0.00 32.46 30.98 2e5l n ARG 30 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2e5l n PHE 31 N -0.05 -0.52 0.22 -1.55 7.35 -1.26 -4.40 117.46 117.24 2e5l n PHE 31 Ca 0.00 0.09 0.18 0.00 -0.76 0.00 0.00 57.45 56.96 2e5l n PHE 31 Cb 0.00 0.39 0.85 0.00 0.35 0.00 0.00 39.48 41.07 2e5l n PHE 31 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2e5l h LYS 32 N 0.00 0.00 0.00 -4.13 1.57 -1.34 1.09 116.57 113.76 2e5l h LYS 32 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2e5l h LYS 32 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2e5l h LYS 32 CO 0.00 0.00 -0.09 1.49 -0.57 0.00 0.00 179.45 180.28 2e5l h GLU 33 N 0.00 0.06 -0.56 3.15 4.81 -1.31 -2.30 114.58 118.43 2e5l h GLU 33 Ca 0.08 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 2e5l h GLU 33 Cb 0.54 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 2e5l h GLU 33 CO -0.00 0.84 0.37 0.93 -0.73 0.00 0.00 179.01 180.42 2e5l h GLU 34 N -0.70 0.45 -0.11 1.92 5.08 0.87 0.23 114.58 122.32 2e5l h GLU 34 Ca -0.01 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2e5l h GLU 34 Cb 0.87 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 2e5l h GLU 34 CO 0.02 0.30 -0.15 0.82 -1.00 0.00 0.00 179.01 178.99 2e5l h ILE 35 N 0.46 1.37 -0.05 3.13 2.04 -0.82 -2.15 117.51 121.50 2e5l h ILE 35 Ca 0.25 -1.37 0.01 0.00 1.00 0.00 0.00 64.86 64.75 2e5l h ILE 35 Cb 0.37 2.02 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 2e5l h ILE 35 CO -0.07 0.39 0.04 -0.07 0.00 0.00 0.00 178.15 178.44 2e5l h LEU 36 N -0.12 0.00 -1.45 1.44 3.38 -0.43 0.00 115.31 118.14 2e5l h LEU 36 Ca 0.01 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.10 2e5l h LEU 36 Cb 0.70 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 2e5l h LEU 36 CO 0.04 0.00 0.51 -0.09 0.09 0.00 0.00 178.44 178.98 2e5l h ARG 37 N 0.00 0.57 0.04 1.13 2.43 0.05 -2.07 114.38 116.53 2e5l h ARG 37 Ca 0.02 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2e5l h ARG 37 Cb 0.10 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2e5l h ARG 37 CO -0.00 0.38 -0.02 0.82 -1.51 0.00 0.00 179.97 179.63 2e5l h ILE 38 N 0.58 1.32 -0.98 1.20 5.03 -0.97 -0.78 117.51 122.91 2e5l h ILE 38 Ca 0.37 -1.63 0.24 0.00 -0.12 0.00 0.00 64.86 63.71 2e5l h ILE 38 Cb 0.63 2.33 -0.12 0.00 -3.03 0.00 0.00 36.82 36.62 2e5l h ILE 38 CO -0.14 0.39 0.55 -0.07 -0.68 0.00 0.00 178.15 178.20 2e5l h LEU 39 N -0.83 0.60 0.28 1.44 -0.00 -1.05 0.56 115.31 116.31 2e5l h LEU 39 Ca -0.01 0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 58.00 2e5l h LEU 39 Cb 0.68 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 2e5l h LEU 39 CO 0.01 0.09 -0.14 0.00 -0.00 0.00 0.00 178.44 178.40 2e5l h ALA 40 N 1.72 -0.38 -1.11 1.53 0.00 -1.45 -0.66 119.26 118.91 2e5l h ALA 40 Ca 0.62 -0.18 0.37 0.00 0.00 0.00 0.00 54.91 55.72 2e5l h ALA 40 Cb 1.17 0.15 -0.14 0.00 0.00 0.00 0.00 17.79 18.97 2e5l h ALA 40 CO -0.48 -0.42 0.67 -0.09 0.00 0.00 0.00 179.25 178.93 2e5l h ARG 41 N -0.97 0.20 0.22 0.00 2.43 0.40 0.54 114.38 117.18 2e5l h ARG 41 Ca -0.04 -0.01 -0.35 0.00 -0.81 0.00 0.00 59.98 58.77 2e5l h ARG 41 Cb 0.48 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2e5l h ARG 41 CO 0.06 0.13 -1.65 0.93 -1.51 0.00 0.00 179.97 177.94 2e5l h GLU 42 N 0.20 0.46 0.00 0.20 4.39 0.05 -3.49 114.58 116.39 2e5l h GLU 42 Ca 0.77 -0.78 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2e5l h GLU 42 Cb 2.05 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 30.99 2e5l h GLU 42 CO -0.54 1.37 0.00 0.41 -1.16 0.00 0.00 179.01 179.10 2e5l n GLY 43 N 1.81 0.93 0.24 -3.84 0.00 0.18 -4.98 105.19 99.52 2e5l n GLY 43 Ca -0.22 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.94 2e5l n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2e5l h PHE 44 N 0.00 0.00 -3.28 1.61 0.04 -1.39 -3.45 116.94 110.47 2e5l h PHE 44 Ca 0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 2e5l h PHE 44 Cb 0.00 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 37.94 2e5l h PHE 44 CO 0.00 0.03 -0.39 0.96 -0.60 0.00 0.00 178.31 178.31 2e5l s ILE 45 N -3.41 0.07 0.09 -0.55 -4.36 -1.14 -4.21 121.20 107.69 2e5l s ILE 45 Ca 0.04 -0.54 -0.36 0.00 -0.26 0.00 0.00 60.65 59.53 2e5l s ILE 45 Cb 0.07 -0.50 -0.17 0.00 1.25 0.00 0.00 42.46 43.11 2e5l s ILE 45 CO 0.62 -0.30 1.56 0.11 0.24 0.00 0.00 174.94 177.18 2e5l h LYS 46 N 4.23 -0.91 0.00 0.37 1.57 -0.78 -3.38 116.57 117.67 2e5l h LYS 46 Ca -0.30 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2e5l h LYS 46 Cb 1.19 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.70 2e5l h LYS 46 CO 0.40 -0.61 0.00 0.41 -0.57 0.00 0.00 179.45 179.08 2e5l n GLY 47 N -1.55 -0.59 3.53 3.86 0.00 -1.19 -4.83 105.19 104.41 2e5l n GLY 47 Ca -0.11 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 2e5l n GLY 47 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2e5l s TYR 48 N -3.44 -0.56 0.03 1.61 -0.85 -1.25 0.24 117.35 113.13 2e5l s TYR 48 Ca 0.00 0.91 -0.01 0.00 -0.52 0.00 0.00 57.07 57.45 2e5l s TYR 48 Cb 0.00 0.43 -0.03 0.00 0.38 0.00 0.00 41.96 42.75 2e5l s TYR 48 CO 0.00 -0.55 -0.01 -1.83 -1.52 0.00 0.00 175.55 171.64 2e5l s GLU 49 N -1.40 0.46 0.22 -3.49 -1.05 -1.06 -4.93 118.70 107.46 2e5l s GLU 49 Ca -0.07 -0.85 -0.30 0.00 -0.15 0.00 0.00 54.97 53.60 2e5l s GLU 49 Cb -0.00 0.17 -0.09 0.00 -0.44 0.00 0.00 34.13 33.76 2e5l s GLU 49 CO 0.06 -0.09 1.35 1.03 0.95 0.00 0.00 175.26 178.56 2e5l s ARG 50 N -2.51 4.35 0.00 -4.83 0.52 -1.26 -1.55 118.95 113.67 2e5l s ARG 50 Ca -0.06 2.15 0.02 0.00 -0.52 0.00 0.00 55.73 57.31 2e5l s ARG 50 Cb -0.02 -3.16 -0.01 0.00 0.52 0.00 0.00 34.95 32.29 2e5l s ARG 50 CO -0.05 -0.30 -0.05 0.08 0.02 0.00 0.00 175.30 175.00 2e5l s VAL 51 N -0.01 0.38 -0.42 3.52 1.01 0.29 -4.92 120.40 120.25 2e5l s VAL 51 Ca 0.57 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 62.02 2e5l s VAL 51 Cb -0.39 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 35.67 2e5l s VAL 51 CO 0.41 0.04 0.74 -1.81 0.00 0.00 0.00 175.10 174.48 2e5l s ASP 52 N -0.28 6.42 -0.72 3.32 -0.00 -1.26 -0.76 116.67 123.38 2e5l s ASP 52 Ca 0.00 -0.05 -0.10 0.00 -0.00 0.00 0.00 52.55 52.40 2e5l s ASP 52 Cb -0.03 -2.37 0.19 0.00 -0.00 0.00 0.00 42.92 40.71 2e5l s ASP 52 CO -0.00 -0.82 0.61 -0.69 -0.00 0.00 0.00 175.17 174.27 2e5l s VAL 53 N 3.10 4.87 -1.09 -1.27 1.01 0.29 -4.65 120.40 122.66 2e5l s VAL 53 Ca 0.28 -2.51 -0.04 0.00 0.00 0.00 0.00 61.98 59.71 2e5l s VAL 53 Cb -0.13 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 2e5l s VAL 53 CO 0.20 -0.95 0.94 -0.67 0.00 0.00 0.00 175.10 174.62 2e5l n ASP 54 N 3.97 -5.20 0.00 3.32 2.03 -1.26 -1.48 116.55 117.94 2e5l n ASP 54 Ca 0.08 -0.68 0.00 0.00 0.52 0.00 0.00 54.79 54.72 2e5l n ASP 54 Cb 0.43 -5.15 0.00 0.00 -0.72 0.00 0.00 41.12 35.68 2e5l n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2e5l n GLY 55 N -1.20 1.79 3.78 0.27 0.00 -1.26 -4.94 105.19 103.63 2e5l n GLY 55 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 2e5l n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e5l s LYS 56 N 0.00 4.34 -0.18 1.61 3.01 -0.55 -5.04 119.74 122.93 2e5l s LYS 56 Ca 0.00 0.84 -0.29 0.00 -1.01 0.00 0.00 55.97 55.51 2e5l s LYS 56 Cb 0.00 -3.30 -0.00 0.00 -1.01 0.00 0.00 37.83 33.52 2e5l s LYS 56 CO 0.00 0.48 1.15 -1.25 0.51 0.00 0.00 175.35 176.25 2e5l s PRO 57 N -0.64 4.26 0.39 -1.68 0.04 -1.26 0.10 135.00 136.21 2e5l s PRO 57 Ca 0.32 1.52 0.04 0.00 0.04 0.00 0.00 61.00 62.92 2e5l s PRO 57 Cb -0.20 -3.69 -0.05 0.00 0.04 0.00 0.00 34.50 30.60 2e5l s PRO 57 CO 0.20 -0.64 0.05 0.71 0.04 0.00 0.00 177.00 177.36 2e5l s TYR 58 N 3.24 2.05 -0.23 0.56 1.51 0.06 -1.63 117.35 122.91 2e5l s TYR 58 Ca 0.50 -0.95 0.02 0.00 -1.01 0.00 0.00 57.07 55.63 2e5l s TYR 58 Cb -0.19 -1.43 0.04 0.00 -0.11 0.00 0.00 41.96 40.27 2e5l s TYR 58 CO 0.11 0.09 -0.14 -0.51 -1.11 0.00 0.00 175.55 174.00 2e5l s LEU 59 N -3.63 2.95 -0.47 -1.29 1.43 0.40 -0.55 118.68 117.52 2e5l s LEU 59 Ca 0.29 -1.07 -0.22 0.00 -1.03 0.00 0.00 54.13 52.10 2e5l s LEU 59 Cb 0.07 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.78 2e5l s LEU 59 CO 0.14 -0.12 0.73 -0.13 0.23 0.00 0.00 176.35 177.20 2e5l s ARG 60 N 1.19 3.30 -0.22 1.70 0.52 -0.59 -2.79 118.95 122.05 2e5l s ARG 60 Ca -0.03 -0.37 -0.22 0.00 -0.52 0.00 0.00 55.73 54.59 2e5l s ARG 60 Cb -0.17 -3.99 -0.02 0.00 0.52 0.00 0.00 34.95 31.29 2e5l s ARG 60 CO -0.08 -1.16 0.71 0.08 0.02 0.00 0.00 175.30 174.87 2e5l s VAL 61 N 3.11 4.94 -0.74 3.52 1.01 -0.72 -2.55 120.40 128.97 2e5l s VAL 61 Ca 0.25 1.33 -0.20 0.00 0.00 0.00 0.00 61.98 63.35 2e5l s VAL 61 Cb -0.14 -4.01 0.11 0.00 0.00 0.00 0.00 36.38 32.33 2e5l s VAL 61 CO 0.19 0.02 0.95 -0.31 0.00 0.00 0.00 175.10 175.96 2e5l s TYR 62 N 2.38 2.95 0.74 5.22 2.02 0.14 -0.69 117.35 130.11 2e5l s TYR 62 Ca 0.31 -1.00 -0.15 0.00 -0.37 0.00 0.00 57.07 55.86 2e5l s TYR 62 Cb -0.16 -4.21 0.01 0.00 -0.40 0.00 0.00 41.96 37.21 2e5l s TYR 62 CO 0.09 -1.49 0.95 1.28 -1.57 0.00 0.00 175.55 174.81 2e5l n LEU 63 N 6.83 3.31 -4.04 -1.29 4.32 -0.81 -0.18 117.00 125.14 2e5l n LEU 63 Ca 0.05 0.64 -0.17 0.00 -0.02 0.00 0.00 56.01 56.51 2e5l n LEU 63 Cb 0.46 -1.40 -0.14 0.00 -1.62 0.00 0.00 43.42 40.73 2e5l n LEU 63 CO 0.57 -2.12 -0.43 -0.75 -1.22 0.00 0.00 177.39 173.44 2e5l s LYS 64 N -3.40 0.65 0.10 3.23 2.20 -1.26 -4.42 119.74 116.84 2e5l s LYS 64 Ca 0.72 -0.50 0.01 0.00 -0.36 0.00 0.00 55.97 55.85 2e5l s LYS 64 Cb -0.33 -0.59 -0.01 0.00 -1.51 0.00 0.00 37.83 35.39 2e5l s LYS 64 CO 0.51 0.15 0.05 0.66 -0.36 0.00 0.00 175.35 176.36 2e5l n TYR 65 N 2.32 -0.05 -3.62 4.03 0.53 -1.26 -3.87 117.16 115.24 2e5l n TYR 65 Ca -0.17 -0.70 -0.23 0.00 -1.02 0.00 0.00 57.90 55.79 2e5l n TYR 65 Cb 0.56 0.03 0.02 0.00 -1.03 0.00 0.00 39.34 38.92 2e5l n TYR 65 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2e5l n GLY 66 N 0.90 2.53 3.65 2.72 0.00 -0.21 -4.79 105.19 109.99 2e5l n GLY 66 Ca -0.00 -2.27 -0.30 0.00 0.00 0.00 0.00 46.02 43.45 2e5l n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e5l s PRO 67 N -4.21 0.62 -0.04 1.61 0.04 -1.26 -4.53 135.00 127.23 2e5l s PRO 67 Ca 0.37 0.98 -0.30 0.00 0.04 0.00 0.00 61.00 62.09 2e5l s PRO 67 Cb -0.03 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.74 2e5l s PRO 67 CO 0.24 -2.72 1.38 0.50 0.04 0.00 0.00 177.00 176.43 2e5l s ARG 68 N -4.75 4.28 0.84 4.56 3.52 -1.26 -3.99 118.95 122.14 2e5l s ARG 68 Ca 0.65 1.90 -0.12 0.00 -0.13 0.00 0.00 55.73 58.04 2e5l s ARG 68 Cb -0.21 -3.64 0.10 0.00 -1.56 0.00 0.00 34.95 29.64 2e5l s ARG 68 CO 0.59 -0.60 1.10 1.03 -0.81 0.00 0.00 175.30 176.61 2e5l s ARG 69 N 2.69 1.73 0.51 5.12 0.52 -1.19 -5.00 118.95 123.33 2e5l s ARG 69 Ca 0.62 0.62 0.07 0.00 -0.52 0.00 0.00 55.73 56.53 2e5l s ARG 69 Cb -0.29 -1.88 0.09 0.00 0.52 0.00 0.00 34.95 33.39 2e5l s ARG 69 CO 0.24 -1.86 0.70 1.04 0.02 0.00 0.00 175.30 175.44 2e5l n GLN 70 N -3.60 0.55 0.00 3.54 1.13 -1.26 -4.49 117.38 113.26 2e5l n GLN 70 Ca 0.07 -2.57 0.00 0.00 -1.94 0.00 0.00 57.00 52.55 2e5l n GLN 70 Cb 0.56 -0.26 0.00 0.00 0.11 0.00 0.00 30.24 30.65 2e5l n GLN 70 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2e5l n GLY 71 N -1.04 2.86 4.00 1.08 0.00 -1.26 -4.68 105.19 106.15 2e5l n GLY 71 Ca 0.14 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 2e5l n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e5l s PRO 72 N 0.00 2.48 -0.62 1.61 0.04 -1.26 -4.79 135.00 132.46 2e5l s PRO 72 Ca 0.00 -1.20 -0.06 0.00 0.04 0.00 0.00 61.00 59.78 2e5l s PRO 72 Cb 0.00 -2.61 0.01 0.00 0.04 0.00 0.00 34.50 31.94 2e5l s PRO 72 CO 0.00 -0.68 0.42 -0.25 0.04 0.00 0.00 177.00 176.53 2e5l n ASP 73 N -2.20 -3.10 -1.43 6.66 10.43 -1.26 -4.81 116.55 120.84 2e5l n ASP 73 Ca 0.11 -0.72 0.00 0.00 2.57 0.00 0.00 54.79 56.75 2e5l n ASP 73 Cb 0.60 -1.07 0.00 0.00 1.84 0.00 0.00 41.12 42.49 2e5l n ASP 73 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 2e5l n PRO 74 N -2.37 0.41 -2.33 -0.24 -0.04 -1.26 -4.80 135.00 124.36 2e5l n PRO 74 Ca -0.19 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.86 2e5l n PRO 74 Cb 0.45 -1.30 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 2e5l n PRO 74 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2e5l s ARG 75 N 0.91 3.31 0.14 0.54 0.52 -1.26 -3.18 118.95 119.92 2e5l s ARG 75 Ca 0.00 0.64 -0.32 0.00 -0.52 0.00 0.00 55.73 55.53 2e5l s ARG 75 Cb 0.00 -4.13 -0.18 0.00 0.52 0.00 0.00 34.95 31.16 2e5l s ARG 75 CO 0.00 -1.91 0.77 -2.30 0.02 0.00 0.00 175.30 171.88 2e5l n PRO 76 N 8.56 0.17 -1.65 3.54 -0.02 -1.26 -4.79 135.00 139.55 2e5l n PRO 76 Ca 0.15 0.06 -0.47 0.00 -2.02 0.00 0.00 63.50 61.22 2e5l n PRO 76 Cb 0.49 -1.28 -0.04 0.00 -0.02 0.00 0.00 33.50 32.65 2e5l n PRO 76 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2e5l n GLU 77 N 1.21 1.91 -2.44 -0.52 2.13 -1.26 -4.60 120.64 117.07 2e5l n GLU 77 Ca 0.18 0.69 -0.38 0.00 0.66 0.00 0.00 57.16 58.30 2e5l n GLU 77 Cb 0.20 -2.41 -0.04 0.00 0.27 0.00 0.00 31.44 29.47 2e5l n GLU 77 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2e5l s GLN 78 N 0.58 4.31 0.03 5.31 -1.52 -1.26 -1.05 119.66 126.07 2e5l s GLN 78 Ca 0.78 1.72 -0.13 0.00 -1.95 0.00 0.00 55.36 55.79 2e5l s GLN 78 Cb -0.73 -2.83 -0.34 0.00 -0.22 0.00 0.00 33.01 28.89 2e5l s GLN 78 CO 0.42 -0.06 1.00 0.28 -0.25 0.00 0.00 175.29 176.67 2e5l h VAL 79 N 2.58 1.29 -3.62 1.09 2.07 -1.87 -3.38 116.25 114.42 2e5l h VAL 79 Ca -0.48 -2.77 -0.78 0.00 0.82 0.00 0.00 66.70 63.49 2e5l h VAL 79 Cb 1.22 2.99 -0.26 0.00 -1.52 0.00 0.00 31.29 33.72 2e5l h VAL 79 CO 0.64 0.83 0.28 -0.63 0.02 0.00 0.00 177.57 178.71 2e5l s ILE 80 N -2.61 5.65 0.25 4.57 1.01 -1.26 -4.91 121.20 123.91 2e5l s ILE 80 Ca -0.09 -2.68 0.01 0.00 0.00 0.00 0.00 60.65 57.89 2e5l s ILE 80 Cb 0.05 -4.54 0.04 0.00 0.01 0.00 0.00 42.46 38.01 2e5l s ILE 80 CO 0.92 -1.12 1.66 0.45 0.00 0.00 0.00 174.94 176.86 2e5l h HIS 81 N 7.52 0.60 -2.69 3.97 3.86 -1.20 -3.46 115.15 123.75 2e5l h HIS 81 Ca 0.14 -0.15 -0.11 0.00 -1.16 0.00 0.00 60.37 59.09 2e5l h HIS 81 Cb 0.99 -0.14 -0.23 0.00 1.06 0.00 0.00 27.41 29.09 2e5l h HIS 81 CO 0.97 0.78 -0.19 -1.58 0.86 0.00 0.00 177.93 178.78 2e5l s HIS 82 N -4.38 -0.44 -0.29 2.45 5.65 0.29 -4.98 115.29 113.58 2e5l s HIS 82 Ca -0.07 1.02 -0.13 0.00 0.25 0.00 0.00 55.06 56.13 2e5l s HIS 82 Cb 0.13 0.17 0.11 0.00 -1.18 0.00 0.00 32.58 31.81 2e5l s HIS 82 CO 0.81 -0.29 0.71 -1.50 -0.65 0.00 0.00 174.74 173.81 2e5l s ILE 83 N -0.14 -0.51 -0.28 0.89 2.07 -1.25 -0.79 121.20 121.20 2e5l s ILE 83 Ca -0.03 0.00 -0.20 0.00 -1.41 0.00 0.00 60.65 59.01 2e5l s ILE 83 Cb -0.03 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.63 2e5l s ILE 83 CO 0.02 0.00 0.70 0.00 -1.91 0.00 0.00 174.94 173.75 2e5l s ARG 84 N 2.28 0.76 0.18 3.50 1.70 -0.36 -4.97 118.95 122.04 2e5l s ARG 84 Ca -0.08 1.13 -0.32 0.00 -0.47 0.00 0.00 55.73 55.99 2e5l s ARG 84 Cb -0.08 0.25 -0.12 0.00 -0.57 0.00 0.00 34.95 34.43 2e5l s ARG 84 CO -0.19 -0.13 1.73 0.54 -1.08 0.00 0.00 175.30 176.17 2e5l n ARG 85 N 3.64 2.69 -0.01 3.89 1.74 -1.26 -1.74 116.66 125.62 2e5l n ARG 85 Ca -0.18 0.97 -0.01 0.00 -0.77 0.00 0.00 57.85 57.87 2e5l n ARG 85 Cb 0.57 -2.82 -0.00 0.00 -1.02 0.00 0.00 32.46 29.19 2e5l n ARG 85 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2e5l h ILE 86 N 3.97 0.00 -2.79 0.55 2.04 -1.55 -3.46 117.51 116.27 2e5l h ILE 86 Ca -0.44 -0.18 -0.56 0.00 1.00 0.00 0.00 64.86 64.67 2e5l h ILE 86 Cb 1.21 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2e5l h ILE 86 CO 0.95 0.00 1.01 -0.55 0.00 0.00 0.00 178.15 179.56 2e5l s SER 87 N -3.77 6.74 0.30 1.72 0.15 -1.08 -4.92 113.70 112.84 2e5l s SER 87 Ca -0.02 1.85 0.09 0.00 0.70 0.00 0.00 55.95 58.57 2e5l s SER 87 Cb 0.00 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 2e5l s SER 87 CO 0.03 -0.91 0.08 -0.54 1.20 0.00 0.00 173.24 173.10 2e5l s LYS 88 N 3.91 2.39 0.40 5.44 1.02 -1.21 -4.87 119.74 126.82 2e5l s LYS 88 Ca 0.64 -1.45 -0.25 0.00 0.02 0.00 0.00 55.97 54.93 2e5l s LYS 88 Cb -0.26 -2.21 -0.08 0.00 -0.52 0.00 0.00 37.83 34.76 2e5l s LYS 88 CO 0.23 0.25 1.21 -1.25 -0.92 0.00 0.00 175.35 174.86 2e5l s PRO 89 N -3.77 4.03 0.00 -1.68 0.04 -1.26 -0.96 135.00 131.40 2e5l s PRO 89 Ca 0.35 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2e5l s PRO 89 Cb -0.05 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.79 2e5l s PRO 89 CO 0.22 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.30 2e5l n GLY 90 N 0.66 0.79 2.44 0.56 0.00 -1.26 -4.72 105.19 103.66 2e5l n GLY 90 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 2e5l n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2e5l n ARG 91 N -2.28 0.98 -1.69 1.61 0.00 -0.79 -5.14 116.66 109.35 2e5l n ARG 91 Ca 0.00 -1.03 -0.42 0.00 -0.00 0.00 0.00 57.85 56.40 2e5l n ARG 91 Cb 0.01 0.23 -0.03 0.00 0.00 0.00 0.00 32.46 32.67 2e5l n ARG 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2e5l n ARG 92 N -1.01 2.81 -3.93 -0.14 3.00 -0.14 -3.36 116.66 113.90 2e5l n ARG 92 Ca -0.13 1.02 -0.35 0.00 -0.01 0.00 0.00 57.85 58.39 2e5l n ARG 92 Cb 0.78 -2.91 -0.14 0.00 0.00 0.00 0.00 32.46 30.19 2e5l n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2e5l s VAL 93 N 2.55 2.91 0.12 1.55 1.01 -1.26 -4.95 120.40 122.32 2e5l s VAL 93 Ca 0.81 -1.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 2e5l s VAL 93 Cb -0.48 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.18 2e5l s VAL 93 CO 0.36 -0.09 0.38 -0.31 0.00 0.00 0.00 175.10 175.44 2e5l s TYR 94 N 1.24 3.51 0.02 5.22 1.51 -1.26 -3.07 117.35 124.51 2e5l s TYR 94 Ca -0.05 0.62 0.03 0.00 -1.01 0.00 0.00 57.07 56.65 2e5l s TYR 94 Cb -0.20 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.59 2e5l s TYR 94 CO -0.02 0.46 -0.09 0.14 -1.11 0.00 0.00 175.55 174.93 2e5l s VAL 95 N -1.57 0.73 0.62 0.71 -7.23 -0.88 -4.96 120.40 107.82 2e5l s VAL 95 Ca 0.38 -0.68 -0.12 0.00 -1.81 0.00 0.00 61.98 59.75 2e5l s VAL 95 Cb -0.13 -0.67 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 2e5l s VAL 95 CO 0.22 0.00 1.03 -0.83 -0.31 0.00 0.00 175.10 175.22 2e5l s GLY 96 N -0.76 1.77 0.13 2.32 0.00 -1.26 -2.82 107.32 106.71 2e5l s GLY 96 Ca -0.00 0.04 -0.19 0.00 0.00 0.00 0.00 44.72 44.57 2e5l s GLY 96 CO 0.00 0.33 1.73 -0.24 0.00 0.00 0.00 173.10 174.92 2e5l h VAL 97 N -0.15 0.88 0.00 1.40 3.04 -1.92 0.32 116.25 119.81 2e5l h VAL 97 Ca -0.45 -0.04 -0.00 0.00 -1.01 0.00 0.00 66.70 65.20 2e5l h VAL 97 Cb 1.20 0.74 -0.00 0.00 -2.01 0.00 0.00 31.29 31.21 2e5l h VAL 97 CO 0.60 0.02 -0.01 0.11 -1.01 0.00 0.00 177.57 177.29 2e5l h LYS 98 N 0.13 0.00 -0.54 4.17 1.57 -1.94 -1.45 116.57 118.51 2e5l h LYS 98 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2e5l h LYS 98 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2e5l h LYS 98 CO -0.15 0.01 0.00 0.39 -0.57 0.00 0.00 179.45 179.12 2e5l n GLU 99 N -3.23 2.38 -2.19 3.15 1.02 0.10 -4.93 120.64 116.94 2e5l n GLU 99 Ca -0.03 -2.13 -0.42 0.00 -0.02 0.00 0.00 57.16 54.57 2e5l n GLU 99 Cb 0.11 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 2e5l n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2e5l s ILE 100 N -1.28 3.28 0.20 -3.67 1.01 -0.55 -4.70 121.20 115.48 2e5l s ILE 100 Ca 0.40 0.96 -0.30 0.00 0.00 0.00 0.00 60.65 61.71 2e5l s ILE 100 Cb 0.21 -3.62 -0.08 0.00 0.01 0.00 0.00 42.46 38.99 2e5l s ILE 100 CO 0.28 0.10 1.04 -2.16 0.00 0.00 0.00 174.94 174.20 2e5l s PRO 101 N 0.70 4.68 0.17 2.79 0.04 -1.26 -5.05 135.00 137.07 2e5l s PRO 101 Ca 0.62 1.63 -0.29 0.00 0.04 0.00 0.00 61.00 63.00 2e5l s PRO 101 Cb -0.37 -3.28 -0.07 0.00 0.04 0.00 0.00 34.50 30.82 2e5l s PRO 101 CO 0.33 0.23 0.91 1.03 0.04 0.00 0.00 177.00 179.54 2e5l s ARG 102 N -0.70 4.74 -0.22 4.56 1.81 -1.26 -4.88 118.95 123.01 2e5l s ARG 102 Ca 0.46 1.40 -0.03 0.00 -1.72 0.00 0.00 55.73 55.84 2e5l s ARG 102 Cb -0.28 -3.32 -0.00 0.00 -0.45 0.00 0.00 34.95 30.90 2e5l s ARG 102 CO 0.34 0.40 -0.07 0.08 -0.68 0.00 0.00 175.30 175.37 2e5l s VAL 103 N -0.67 3.09 -1.00 3.52 1.01 -1.26 -4.72 120.40 120.37 2e5l s VAL 103 Ca 0.42 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 2e5l s VAL 103 Cb -0.24 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 2e5l s VAL 103 CO 0.30 0.43 0.81 0.54 0.00 0.00 0.00 175.10 177.18 2e5l n ARG 104 N 4.76 -1.65 -3.20 2.72 5.12 -1.26 -0.33 116.66 122.81 2e5l n ARG 104 Ca -0.19 0.86 -0.16 0.00 -1.93 0.00 0.00 57.85 56.43 2e5l n ARG 104 Cb 0.50 -5.00 -0.02 0.00 -1.16 0.00 0.00 32.46 26.78 2e5l n ARG 104 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2e5l n ARG 105 N -3.20 -2.32 -2.23 5.56 5.12 -1.26 -1.70 116.66 116.63 2e5l n ARG 105 Ca -0.08 0.12 -0.01 0.00 -1.93 0.00 0.00 57.85 55.96 2e5l n ARG 105 Cb 0.59 -4.68 0.00 0.00 -1.16 0.00 0.00 32.46 27.21 2e5l n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2e5l n GLY 106 N -0.76 -3.32 0.00 -0.13 0.00 0.19 -4.96 105.19 96.20 2e5l n GLY 106 Ca 0.03 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2e5l n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2e5l n LEU 107 N 0.30 0.00 0.00 0.99 4.77 0.55 -4.98 117.00 118.63 2e5l n LEU 107 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2e5l n LEU 107 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2e5l n LEU 107 CO 0.27 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2e5l n GLY 108 N -0.46 1.98 3.38 -0.72 0.00 -0.82 -4.93 105.19 103.63 2e5l n GLY 108 Ca 0.00 -2.08 -0.14 0.00 0.00 0.00 0.00 46.02 43.80 2e5l n GLY 108 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2e5l s ILE 109 N 1.52 0.00 -0.03 -0.61 -4.36 0.16 -4.68 121.20 113.20 2e5l s ILE 109 Ca 0.00 -1.76 -0.01 0.00 -0.26 0.00 0.00 60.65 58.62 2e5l s ILE 109 Cb 0.00 -2.51 0.03 0.00 1.25 0.00 0.00 42.46 41.23 2e5l s ILE 109 CO 0.00 0.00 0.04 0.00 0.24 0.00 0.00 174.94 175.22 2e5l s ALA 110 N -3.57 0.13 -0.27 2.27 0.00 -1.26 -2.58 121.76 116.48 2e5l s ALA 110 Ca 0.34 0.27 -0.09 0.00 0.00 0.00 0.00 51.96 52.47 2e5l s ALA 110 Cb 0.02 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2e5l s ALA 110 CO 0.18 -0.22 0.13 0.42 0.00 0.00 0.00 175.76 176.27 2e5l s ILE 111 N 1.40 4.79 0.00 0.00 1.01 -0.77 -1.61 121.20 126.02 2e5l s ILE 111 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.56 2e5l s ILE 111 Cb -0.13 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.07 2e5l s ILE 111 CO -0.03 0.28 0.00 0.18 0.00 0.00 0.00 174.94 175.37 2e5l n LEU 112 N 4.99 0.00 -3.42 2.97 4.77 0.64 0.77 117.00 127.72 2e5l n LEU 112 Ca -0.15 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.72 2e5l n LEU 112 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 2e5l n LEU 112 CO 0.32 -0.22 -0.08 -0.55 -1.33 0.00 0.00 177.39 175.53 2e5l s SER 113 N -0.82 0.39 0.35 -1.43 0.15 0.17 -2.57 113.70 109.94 2e5l s SER 113 Ca 0.00 0.25 0.08 0.00 0.70 0.00 0.00 55.95 56.97 2e5l s SER 113 Cb 0.00 0.99 -0.03 0.00 -1.71 0.00 0.00 66.02 65.27 2e5l s SER 113 CO 0.00 -0.29 0.27 0.42 1.20 0.00 0.00 173.24 174.84 2e5l s THR 114 N 2.51 3.23 -1.26 6.45 -4.23 -0.32 -2.10 115.64 119.90 2e5l s THR 114 Ca 0.10 -1.44 0.09 0.00 -1.18 0.00 0.00 61.69 59.25 2e5l s THR 114 Cb -0.15 -3.10 0.13 0.00 1.34 0.00 0.00 72.50 70.72 2e5l s THR 114 CO -0.14 -0.14 1.22 -1.54 -0.54 0.00 0.00 174.62 173.48 2e5l n SER 115 N -1.35 0.00 -0.35 3.99 3.41 -1.26 -0.48 113.62 117.58 2e5l n SER 115 Ca -0.01 0.29 0.08 0.00 -0.26 0.00 0.00 58.87 58.96 2e5l n SER 115 Cb 0.61 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 64.18 2e5l n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2e5l n LYS 116 N -1.37 1.70 0.00 4.33 5.02 -1.26 -5.08 118.16 121.50 2e5l n LYS 116 Ca 0.04 -0.77 0.00 0.00 -2.02 0.00 0.00 58.31 55.55 2e5l n LYS 116 Cb 0.09 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2e5l n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2e5l n GLY 117 N 1.15 4.16 3.61 0.72 0.00 0.37 -5.03 105.19 110.17 2e5l n GLY 117 Ca 0.06 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 2e5l n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2e5l s VAL 118 N -2.00 3.76 0.39 1.61 1.01 -1.26 -1.18 120.40 122.73 2e5l s VAL 118 Ca 0.00 0.81 0.08 0.00 0.00 0.00 0.00 61.98 62.87 2e5l s VAL 118 Cb 0.00 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 2e5l s VAL 118 CO 0.00 -0.50 0.08 -0.76 0.00 0.00 0.00 175.10 173.92 2e5l s LEU 119 N 5.62 3.00 0.59 3.92 1.43 -1.06 -4.93 118.68 127.24 2e5l s LEU 119 Ca 0.68 -1.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 2e5l s LEU 119 Cb -0.19 -1.24 0.06 0.00 0.03 0.00 0.00 46.19 44.85 2e5l s LEU 119 CO 0.31 -0.43 0.82 0.42 0.23 0.00 0.00 176.35 177.70 2e5l s THR 120 N -2.61 2.51 0.01 5.49 -4.23 -1.26 -0.26 115.64 115.29 2e5l s THR 120 Ca 0.37 -0.70 -0.25 0.00 -1.18 0.00 0.00 61.69 59.93 2e5l s THR 120 Cb 0.05 -2.80 -0.17 0.00 1.34 0.00 0.00 72.50 70.91 2e5l s THR 120 CO 0.20 0.00 1.31 -2.24 -0.54 0.00 0.00 174.62 173.36 2e5l h ASP 121 N -0.03 -0.26 -0.16 3.99 2.03 -1.68 -0.38 116.42 119.92 2e5l h ASP 121 Ca -0.39 -0.21 0.05 0.00 -0.73 0.00 0.00 57.03 55.75 2e5l h ASP 121 Cb 1.29 0.07 -0.07 0.00 -0.83 0.00 0.00 39.33 39.78 2e5l h ASP 121 CO 0.47 0.08 -0.42 0.03 -1.03 0.00 0.00 179.24 178.37 2e5l h ARG 122 N -0.62 -0.46 -0.69 4.15 3.08 -1.95 0.15 114.38 118.04 2e5l h ARG 122 Ca -0.03 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2e5l h ARG 122 Cb 0.45 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 2e5l h ARG 122 CO 0.05 -0.30 0.40 0.93 -1.07 0.00 0.00 179.97 179.98 2e5l h GLU 123 N -0.47 0.94 0.29 0.04 4.39 -1.94 -0.43 114.58 117.39 2e5l h GLU 123 Ca 0.08 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2e5l h GLU 123 Cb 0.62 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2e5l h GLU 123 CO -0.42 0.67 -0.14 0.00 -1.16 0.00 0.00 179.01 177.96 2e5l h ALA 124 N 1.49 -0.39 -0.08 3.43 0.00 0.44 0.53 119.26 124.68 2e5l h ALA 124 Ca 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2e5l h ALA 124 Cb -0.02 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2e5l h ALA 124 CO -0.04 -0.68 0.05 0.00 0.00 0.00 0.00 179.25 178.57 2e5l h ARG 125 N -0.46 0.11 -0.36 0.00 3.08 0.05 -1.03 114.38 115.77 2e5l h ARG 125 Ca -0.04 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.83 2e5l h ARG 125 Cb 0.35 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 2e5l h ARG 125 CO 0.07 0.08 -0.44 -0.22 -1.07 0.00 0.00 179.97 178.38 2e5l h LYS 126 N 0.11 0.93 0.00 0.04 3.64 0.17 -2.97 116.57 118.49 2e5l h LYS 126 Ca 0.03 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2e5l h LYS 126 Cb -0.00 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2e5l h LYS 126 CO -0.01 1.17 0.00 -0.07 -2.27 0.00 0.00 179.45 178.28 2e5l h LEU 127 N 0.74 0.00 0.68 5.20 -0.00 0.18 -3.47 115.31 118.63 2e5l h LEU 127 Ca 0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.83 2e5l h LEU 127 Cb 1.04 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.70 2e5l h LEU 127 CO 0.10 0.00 -0.12 0.61 -0.00 0.00 0.00 178.44 179.03 2e5l n GLY 128 N 0.63 0.19 3.36 0.83 0.00 -0.50 -5.04 105.19 104.67 2e5l n GLY 128 Ca 0.04 -0.69 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 2e5l n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2e5l s VAL 129 N -2.24 0.52 0.37 1.61 -7.23 -1.15 -4.96 120.40 107.32 2e5l s VAL 129 Ca 0.00 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.03 2e5l s VAL 129 Cb 0.00 -2.56 0.04 0.00 0.56 0.00 0.00 36.38 34.42 2e5l s VAL 129 CO 0.00 0.00 0.72 -0.83 -0.31 0.00 0.00 175.10 174.68 2e5l s GLY 130 N -3.40 0.55 0.00 2.32 0.00 -1.26 -4.42 107.32 101.11 2e5l s GLY 130 Ca 0.35 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.20 2e5l s GLY 130 CO 0.16 -0.43 0.00 0.61 0.00 0.00 0.00 173.10 173.44 2e5l n GLY 131 N -0.53 -0.75 3.58 0.20 0.00 -1.13 -4.50 105.19 102.06 2e5l n GLY 131 Ca -0.06 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 2e5l n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2e5l s GLU 132 N -0.76 2.67 -0.71 1.61 0.41 -0.89 -2.07 118.70 118.95 2e5l s GLU 132 Ca 0.00 1.64 -0.26 0.00 -0.41 0.00 0.00 54.97 55.94 2e5l s GLU 132 Cb 0.00 -4.45 0.00 0.00 -1.78 0.00 0.00 34.13 27.90 2e5l s GLU 132 CO 0.00 -2.63 1.58 -1.17 -0.49 0.00 0.00 175.26 172.55 2e5l s LEU 133 N 9.94 3.24 -0.02 1.80 0.20 -1.18 -0.65 118.68 132.01 2e5l s LEU 133 Ca 0.96 -0.17 -0.26 0.00 0.69 0.00 0.00 54.13 55.36 2e5l s LEU 133 Cb -0.24 -2.55 -0.20 0.00 -0.43 0.00 0.00 46.19 42.77 2e5l s LEU 133 CO 0.30 -2.11 1.27 0.40 -0.29 0.00 0.00 176.35 175.92 2e5l h ILE 134 N 6.51 1.31 -2.02 6.68 2.04 0.07 -2.86 117.51 129.24 2e5l h ILE 134 Ca -0.23 -1.06 0.16 0.00 1.00 0.00 0.00 64.86 64.74 2e5l h ILE 134 Cb 1.10 2.01 -0.16 0.00 -0.74 0.00 0.00 36.82 39.03 2e5l h ILE 134 CO 1.26 0.27 0.60 0.00 0.00 0.00 0.00 178.15 180.28 2e5l s GLU 136 N -2.90 3.76 -0.04 0.00 2.12 -0.71 -1.85 118.70 119.09 2e5l s GLU 136 Ca 0.07 -0.43 0.02 0.00 0.36 0.00 0.00 54.97 54.99 2e5l s GLU 136 Cb -0.01 -3.32 0.01 0.00 0.26 0.00 0.00 34.13 31.07 2e5l s GLU 136 CO -0.07 -0.07 -0.07 0.08 -0.54 0.00 0.00 175.26 174.59 2e5l s VAL 137 N 1.30 0.69 0.00 3.70 1.01 -1.07 -1.22 120.40 124.82 2e5l s VAL 137 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2e5l s VAL 137 Cb -0.15 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.57 2e5l s VAL 137 CO 0.04 0.24 0.00 -2.67 0.00 0.00 0.00 175.10 172.71