#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1c h MET 2 N 0.00 0.00 0.00 4.33 2.86 -2.04 -0.66 114.93 119.43 3e1c h MET 2 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3e1c h MET 2 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 3e1c h MET 2 CO 0.00 0.00 -0.04 0.37 1.06 0.00 0.00 176.91 178.30 3e1c h GLN 3 N 0.00 0.00 -1.89 1.72 5.75 -2.07 -3.37 115.11 115.25 3e1c h GLN 3 Ca 0.00 0.00 -0.50 0.00 -0.15 0.00 0.00 58.65 58.00 3e1c h GLN 3 Cb 0.05 0.00 -0.38 0.00 1.07 0.00 0.00 27.48 28.22 3e1c h GLN 3 CO 0.00 0.04 -1.12 -3.47 -2.65 0.00 0.00 178.83 171.63 3e1c n ASP 4 N -3.44 0.35 -4.71 -0.69 4.64 -0.25 -4.84 116.55 107.61 3e1c n ASP 4 Ca -0.02 -2.90 -0.42 0.00 -1.38 0.00 0.00 54.79 50.07 3e1c n ASP 4 Cb 0.15 -0.49 -0.03 0.00 -1.04 0.00 0.00 41.12 39.71 3e1c n ASP 4 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3e1c s PRO 5 N -1.73 4.13 -0.18 -0.67 0.05 -1.25 -1.10 135.00 134.25 3e1c s PRO 5 Ca 0.37 2.58 0.16 0.00 0.05 0.00 0.00 61.00 64.16 3e1c s PRO 5 Cb 0.27 -3.19 0.69 0.00 0.05 0.00 0.00 34.50 32.31 3e1c s PRO 5 CO -0.10 -0.76 1.60 0.44 0.05 0.00 0.00 177.00 178.24 3e1c n ILE 6 N 4.15 2.35 -0.37 0.56 -6.64 -1.26 -5.05 119.36 113.10 3e1c n ILE 6 Ca 0.16 -1.49 0.33 0.00 -1.77 0.00 0.00 62.75 59.98 3e1c n ILE 6 Cb 0.36 -0.15 0.67 0.00 -1.44 0.00 0.00 39.64 39.08 3e1c n ILE 6 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3e1c h ALA 7 N 3.25 2.84 0.00 -1.28 0.00 -1.46 -2.62 119.26 120.00 3e1c h ALA 7 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3e1c h ALA 7 Cb 1.65 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3e1c h ALA 7 CO 0.33 -1.26 0.00 -0.40 0.00 0.00 0.00 179.25 177.92 3e1c n ASP 8 N -4.38 0.43 0.07 0.00 5.75 -1.26 -2.03 116.55 115.13 3e1c n ASP 8 Ca 0.29 0.67 -0.05 0.00 -0.01 0.00 0.00 54.79 55.69 3e1c n ASP 8 Cb 1.21 -0.74 -0.03 0.00 -1.03 0.00 0.00 41.12 40.53 3e1c n ASP 8 CO 0.00 0.00 0.00 -0.03 -0.11 0.00 0.00 177.20 177.06 3e1c h MET 9 N 0.00 -0.27 -0.64 0.11 4.05 -1.87 -2.70 114.93 113.61 3e1c h MET 9 Ca 0.00 0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.37 3e1c h MET 9 Cb 0.09 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.92 3e1c h MET 9 CO 0.00 -0.18 0.13 -0.07 0.23 0.00 0.00 176.91 177.02 3e1c h LEU 10 N -0.28 0.98 0.25 3.39 -0.00 -1.65 -1.21 115.31 116.78 3e1c h LEU 10 Ca -0.01 -0.21 -0.00 0.00 -0.00 0.00 0.00 57.88 57.65 3e1c h LEU 10 Cb 0.25 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 3e1c h LEU 10 CO -0.05 0.96 -0.18 0.71 -0.00 0.00 0.00 178.44 179.89 3e1c h THR 11 N 0.98 0.62 -0.40 0.22 1.35 -1.69 -2.60 112.91 111.38 3e1c h THR 11 Ca 0.20 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.97 3e1c h THR 11 Cb 0.38 0.62 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 3e1c h THR 11 CO 0.01 0.00 -0.09 -0.09 -0.25 0.00 0.00 175.52 175.10 3e1c h ARG 12 N -0.43 0.78 -0.06 4.72 9.65 -1.30 -0.81 114.38 126.92 3e1c h ARG 12 Ca -0.02 -0.29 -0.06 0.00 -1.10 0.00 0.00 59.98 58.51 3e1c h ARG 12 Cb 0.37 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 3e1c h ARG 12 CO 0.00 0.90 -0.23 -0.84 2.80 0.00 0.00 179.97 182.60 3e1c h ILE 13 N 0.59 1.20 0.06 1.20 3.07 -1.27 0.23 117.51 122.59 3e1c h ILE 13 Ca 0.10 -0.92 -0.11 0.00 1.55 0.00 0.00 64.86 65.48 3e1c h ILE 13 Cb 0.61 1.42 0.01 0.00 -0.27 0.00 0.00 36.82 38.59 3e1c h ILE 13 CO 0.04 0.27 -0.46 -0.09 -1.05 0.00 0.00 178.15 176.86 3e1c h ARG 14 N 0.09 0.21 -0.01 0.16 2.43 -1.13 -0.26 114.38 115.87 3e1c h ARG 14 Ca 0.02 -0.30 0.01 0.00 -0.81 0.00 0.00 59.98 58.89 3e1c h ARG 14 Cb 0.47 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 3e1c h ARG 14 CO 0.03 1.10 -0.29 -0.91 -1.51 0.00 0.00 179.97 178.39 3e1c h ASN 15 N -0.53 -0.89 0.00 -3.80 2.35 -1.22 -2.39 115.58 109.11 3e1c h ASN 15 Ca -0.07 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3e1c h ASN 15 Cb 1.30 0.34 0.00 0.00 0.05 0.00 0.00 38.32 40.01 3e1c h ASN 15 CO 0.09 -0.28 0.00 0.61 -1.65 0.00 0.00 177.43 176.20 3e1c n GLY 16 N -1.24 -0.45 0.00 2.83 0.00 0.82 -0.73 105.19 106.41 3e1c n GLY 16 Ca -0.04 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.18 3e1c n GLY 16 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3e1c n GLN 17 N -1.25 0.01 0.15 1.61 7.27 -0.11 -1.74 117.38 123.32 3e1c n GLN 17 Ca 0.00 0.11 -0.25 0.00 0.07 0.00 0.00 57.00 56.93 3e1c n GLN 17 Cb 0.00 -1.50 -0.16 0.00 2.41 0.00 0.00 30.24 30.99 3e1c n GLN 17 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3e1c h ALA 18 N 2.79 -0.15 0.00 1.69 0.00 -0.51 -3.19 119.26 119.89 3e1c h ALA 18 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 3e1c h ALA 18 Cb 0.39 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3e1c h ALA 18 CO 0.00 0.71 0.00 0.00 0.00 0.00 0.00 179.25 179.96 3e1c n ALA 19 N -2.73 1.89 -0.04 0.00 0.00 0.09 -4.77 120.51 114.95 3e1c n ALA 19 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3e1c n ALA 19 Cb 1.11 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3e1c n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3e1c n ASN 20 N 0.88 0.00 -4.77 0.00 5.03 -1.26 -4.94 115.26 110.20 3e1c n ASN 20 Ca 0.00 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 3e1c n ASN 20 Cb 0.18 -1.40 -0.00 0.00 -1.02 0.00 0.00 39.78 37.53 3e1c n ASN 20 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3e1c n LYS 21 N -1.76 2.71 0.21 3.52 5.02 -1.26 -4.95 118.16 121.65 3e1c n LYS 21 Ca 0.00 0.95 0.13 0.00 -2.02 0.00 0.00 58.31 57.37 3e1c n LYS 21 Cb 0.00 -2.70 0.28 0.00 -0.02 0.00 0.00 35.03 32.59 3e1c n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3e1c h ALA 22 N 3.41 1.00 -2.80 7.82 0.00 -1.91 -3.43 119.26 123.35 3e1c h ALA 22 Ca -0.50 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.09 3e1c h ALA 22 Cb 1.24 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.84 3e1c h ALA 22 CO 0.68 0.00 -0.74 0.00 0.00 0.00 0.00 179.25 179.19 3e1c s ALA 23 N -3.26 1.09 -0.24 0.00 0.00 -1.26 0.71 121.76 118.80 3e1c s ALA 23 Ca 0.07 -1.15 -0.15 0.00 0.00 0.00 0.00 51.96 50.72 3e1c s ALA 23 Cb 0.07 0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.28 3e1c s ALA 23 CO 0.64 -0.02 0.60 0.54 0.00 0.00 0.00 175.76 177.52 3e1c s VAL 24 N -2.30 -0.01 -0.01 0.00 0.11 -1.16 -4.90 120.40 112.14 3e1c s VAL 24 Ca 0.04 0.03 0.05 0.00 -2.93 0.00 0.00 61.98 59.17 3e1c s VAL 24 Cb -0.04 -0.87 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 3e1c s VAL 24 CO 0.00 0.01 -0.16 0.28 -3.33 0.00 0.00 175.10 171.90 3e1c s THR 25 N 1.42 1.29 0.35 5.04 -1.32 -1.26 -1.46 115.64 119.68 3e1c s THR 25 Ca -0.09 -0.73 -0.15 0.00 -1.21 0.00 0.00 61.69 59.52 3e1c s THR 25 Cb -0.06 -1.08 0.04 0.00 -1.51 0.00 0.00 72.50 69.89 3e1c s THR 25 CO -0.15 0.34 0.71 0.00 -2.21 0.00 0.00 174.62 173.30 3e1c s MET 26 N -0.45 2.05 0.63 7.08 0.23 -0.80 -5.02 119.30 123.02 3e1c s MET 26 Ca 0.06 -1.37 -0.14 0.00 -1.03 0.00 0.00 55.69 53.21 3e1c s MET 26 Cb -0.06 0.59 -0.02 0.00 -1.53 0.00 0.00 34.83 33.80 3e1c s MET 26 CO -0.00 -0.94 1.06 -2.14 -2.03 0.00 0.00 175.02 170.97 3e1c s PRO 27 N -2.89 3.15 1.03 3.16 0.02 -1.26 0.09 135.00 138.30 3e1c s PRO 27 Ca 0.17 1.16 -0.17 0.00 0.02 0.00 0.00 61.00 62.17 3e1c s PRO 27 Cb -0.04 -2.01 0.23 0.00 0.02 0.00 0.00 34.50 32.70 3e1c s PRO 27 CO 0.11 -0.94 1.32 0.45 -0.33 0.00 0.00 177.00 177.61 3e1c s SER 28 N -3.03 2.54 -0.25 2.53 0.15 -0.76 -4.39 113.70 110.49 3e1c s SER 28 Ca 0.62 0.21 -0.31 0.00 0.70 0.00 0.00 55.95 57.18 3e1c s SER 28 Cb -0.16 -0.19 0.17 0.00 -1.71 0.00 0.00 66.02 64.13 3e1c s SER 28 CO 0.42 -3.08 1.29 -0.55 1.20 0.00 0.00 173.24 172.51 3e1c s SER 29 N -4.83 -0.10 0.56 5.45 0.15 -1.26 -5.02 113.70 108.66 3e1c s SER 29 Ca 0.76 0.08 0.45 0.00 0.70 0.00 0.00 55.95 57.94 3e1c s SER 29 Cb -0.03 0.09 1.64 0.00 -1.71 0.00 0.00 66.02 66.00 3e1c s SER 29 CO 0.54 -0.11 1.63 0.50 1.20 0.00 0.00 173.24 177.00 3e1c h LYS 30 N 2.12 0.00 0.00 5.44 1.63 -2.03 -2.39 116.57 121.33 3e1c h LYS 30 Ca -0.09 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 3e1c h LYS 30 Cb 1.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 3e1c h LYS 30 CO 0.23 0.00 -0.16 -0.11 -3.45 0.00 0.00 179.45 175.96 3e1c n LEU 31 N -3.95 0.00 -0.01 5.20 7.94 -1.26 -4.82 117.00 120.10 3e1c n LEU 31 Ca 0.38 -0.14 -0.17 0.00 -1.11 0.00 0.00 56.01 54.97 3e1c n LEU 31 Cb 1.76 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 45.61 3e1c n LEU 31 CO 0.42 0.00 0.31 0.11 -1.11 0.00 0.00 177.39 177.12 3e1c h LYS 32 N 0.00 0.38 0.00 1.96 1.57 -1.81 -2.58 116.57 116.10 3e1c h LYS 32 Ca 0.00 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3e1c h LYS 32 Cb 0.00 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3e1c h LYS 32 CO 0.00 1.05 0.00 -0.24 -0.57 0.00 0.00 179.45 179.69 3e1c h VAL 33 N -0.14 0.00 0.64 0.50 3.04 -1.91 -0.49 116.25 117.90 3e1c h VAL 33 Ca -0.06 -0.55 -0.03 0.00 -1.01 0.00 0.00 66.70 65.05 3e1c h VAL 33 Cb 1.21 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 31.98 3e1c h VAL 33 CO 0.10 0.00 -0.34 0.00 -1.01 0.00 0.00 177.57 176.32 3e1c h ALA 34 N 2.19 -0.91 -0.59 3.17 0.00 -1.84 -0.93 119.26 120.34 3e1c h ALA 34 Ca 0.00 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.83 3e1c h ALA 34 Cb 0.64 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 3e1c h ALA 34 CO 0.00 -1.02 0.09 0.82 0.00 0.00 0.00 179.25 179.14 3e1c h ILE 35 N -0.91 0.60 -0.56 0.00 2.04 -0.91 -1.60 117.51 116.17 3e1c h ILE 35 Ca -0.08 -0.07 0.11 0.00 1.00 0.00 0.00 64.86 65.81 3e1c h ILE 35 Cb 0.71 0.37 -0.09 0.00 -0.74 0.00 0.00 36.82 37.08 3e1c h ILE 35 CO 0.12 0.04 0.07 0.00 0.00 0.00 0.00 178.15 178.38 3e1c h ALA 36 N 1.50 0.61 -0.61 1.87 0.00 -1.08 -2.42 119.26 119.12 3e1c h ALA 36 Ca 0.31 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.43 3e1c h ALA 36 Cb 0.48 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 3e1c h ALA 36 CO -0.44 -0.34 0.31 -0.97 0.00 0.00 0.00 179.25 177.81 3e1c h ASN 37 N 0.20 0.43 -0.24 0.00 -1.24 -0.17 -2.42 115.58 112.13 3e1c h ASN 37 Ca 0.29 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.34 3e1c h ASN 37 Cb 0.44 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 3e1c h ASN 37 CO -0.41 0.28 0.13 0.58 -1.29 0.00 0.00 177.43 176.72 3e1c h VAL 38 N 0.57 1.12 -0.69 2.57 2.07 -1.22 -3.02 116.25 117.65 3e1c h VAL 38 Ca 0.28 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3e1c h VAL 38 Cb 0.22 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3e1c h VAL 38 CO -0.20 0.12 0.35 -0.07 0.02 0.00 0.00 177.57 177.78 3e1c h LEU 39 N 0.28 0.87 -0.30 2.57 3.38 -0.95 0.55 115.31 121.71 3e1c h LEU 39 Ca 0.09 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3e1c h LEU 39 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3e1c h LEU 39 CO -0.01 0.72 -0.23 0.50 0.09 0.00 0.00 178.44 179.51 3e1c h LYS 40 N 0.97 0.69 -0.52 1.13 3.64 -1.58 0.20 116.57 121.09 3e1c h LYS 40 Ca 0.24 -0.34 -0.10 0.00 -1.27 0.00 0.00 60.65 59.18 3e1c h LYS 40 Cb 0.07 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3e1c h LYS 40 CO -0.03 0.95 -0.09 1.49 -2.27 0.00 0.00 179.45 179.49 3e1c h GLU 41 N 0.44 0.96 0.00 1.90 4.81 -1.38 -2.54 114.58 118.77 3e1c h GLU 41 Ca 0.06 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3e1c h GLU 41 Cb 0.79 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.09 3e1c h GLU 41 CO 0.06 1.00 0.00 0.39 -0.73 0.00 0.00 179.01 179.73 3e1c n GLU 42 N -4.16 0.99 -0.49 1.92 -0.58 0.19 -4.95 120.64 113.58 3e1c n GLU 42 Ca 0.02 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.75 3e1c n GLU 42 Cb 0.38 -1.44 -0.00 0.00 -0.57 0.00 0.00 31.44 29.80 3e1c n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3e1c n GLY 43 N 0.93 0.11 0.14 0.62 0.00 0.66 -4.80 105.19 102.86 3e1c n GLY 43 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.31 3e1c n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3e1c n PHE 44 N -0.84 0.54 -4.16 1.61 3.72 -1.04 -4.57 117.46 112.73 3e1c n PHE 44 Ca -0.01 0.28 -0.25 0.00 -0.05 0.00 0.00 57.45 57.43 3e1c n PHE 44 Cb 0.19 -0.87 -0.07 0.00 -0.94 0.00 0.00 39.48 37.78 3e1c n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3e1c s ILE 45 N -3.38 2.43 -0.07 4.37 -4.36 -1.22 -4.57 121.20 114.39 3e1c s ILE 45 Ca -0.02 -1.74 -0.24 0.00 -0.26 0.00 0.00 60.65 58.39 3e1c s ILE 45 Cb 0.05 -2.97 -0.27 0.00 1.25 0.00 0.00 42.46 40.51 3e1c s ILE 45 CO 0.15 -0.05 0.91 -0.33 0.24 0.00 0.00 174.94 175.86 3e1c h GLU 46 N 1.50 0.19 -2.52 0.37 4.39 -1.50 -3.45 114.58 113.56 3e1c h GLU 46 Ca -0.43 -0.28 0.07 0.00 0.34 0.00 0.00 59.36 59.07 3e1c h GLU 46 Cb 1.25 0.10 -0.14 0.00 -0.10 0.00 0.00 28.75 29.86 3e1c h GLU 46 CO 0.69 1.08 0.40 0.34 -1.16 0.00 0.00 179.01 180.36 3e1c s ASP 47 N -6.57 -0.41 0.23 1.42 2.15 -1.21 -5.01 116.67 107.27 3e1c s ASP 47 Ca -0.16 -0.04 0.07 0.00 0.43 0.00 0.00 52.55 52.86 3e1c s ASP 47 Cb -0.00 0.46 -0.05 0.00 -0.30 0.00 0.00 42.92 43.03 3e1c s ASP 47 CO 0.77 -0.76 -0.11 0.72 -0.17 0.00 0.00 175.17 175.61 3e1c s PHE 48 N -3.34 1.81 -0.16 -5.34 -0.71 -1.26 -0.27 117.98 108.70 3e1c s PHE 48 Ca 0.04 -0.61 0.01 0.00 -1.04 0.00 0.00 56.93 55.33 3e1c s PHE 48 Cb -0.01 -0.91 0.02 0.00 -1.21 0.00 0.00 43.02 40.91 3e1c s PHE 48 CO -0.09 0.34 -0.17 0.21 -1.34 0.00 0.00 175.22 174.16 3e1c s LYS 49 N -3.67 2.62 -0.43 1.99 2.20 0.88 -5.00 119.74 118.32 3e1c s LYS 49 Ca 0.25 -0.69 -0.26 0.00 -0.36 0.00 0.00 55.97 54.91 3e1c s LYS 49 Cb 0.01 -2.31 0.02 0.00 -1.51 0.00 0.00 37.83 34.05 3e1c s LYS 49 CO 0.09 -0.20 0.96 0.54 -0.36 0.00 0.00 175.35 176.37 3e1c s VAL 50 N 1.34 4.47 -0.18 4.02 0.11 -1.26 -1.94 120.40 126.97 3e1c s VAL 50 Ca 0.04 0.98 -0.03 0.00 -2.93 0.00 0.00 61.98 60.03 3e1c s VAL 50 Cb -0.13 -4.43 -0.02 0.00 -1.53 0.00 0.00 36.38 30.27 3e1c s VAL 50 CO -0.11 -0.76 -0.06 -0.70 -3.33 0.00 0.00 175.10 170.15 3e1c s GLU 51 N 3.76 3.49 0.00 1.54 2.56 -1.06 -4.83 118.70 124.17 3e1c s GLU 51 Ca 0.39 -0.60 0.00 0.00 0.00 0.00 0.00 54.97 54.76 3e1c s GLU 51 Cb -0.10 -2.90 0.00 0.00 2.00 0.00 0.00 34.13 33.13 3e1c s GLU 51 CO 0.24 0.06 0.00 0.41 -0.56 0.00 0.00 175.26 175.41 3e1c n GLY 52 N 4.05 0.94 0.16 -1.50 0.00 -1.26 -0.45 105.19 107.13 3e1c n GLY 52 Ca -0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.98 3e1c n GLY 52 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3e1c n ASP 53 N 0.00 0.08 -0.15 1.61 5.68 -1.26 -0.48 116.55 122.02 3e1c n ASP 53 Ca 0.00 0.49 0.08 0.00 -0.50 0.00 0.00 54.79 54.86 3e1c n ASP 53 Cb 0.00 -0.24 0.39 0.00 -1.14 0.00 0.00 41.12 40.13 3e1c n ASP 53 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3e1c h THR 54 N 0.00 0.99 0.00 2.12 1.03 -2.03 -3.39 112.91 111.63 3e1c h THR 54 Ca 0.31 -0.23 -0.19 0.00 -0.01 0.00 0.00 66.41 66.29 3e1c h THR 54 Cb 0.99 0.27 -0.14 0.00 -1.07 0.00 0.00 68.15 68.20 3e1c h THR 54 CO -0.17 0.12 -0.28 1.17 -0.01 0.00 0.00 175.52 176.35 3e1c n LYS 55 N -4.48 0.71 -1.24 0.00 4.81 0.36 -5.17 118.16 113.15 3e1c n LYS 55 Ca 0.10 -1.51 -0.29 0.00 -0.87 0.00 0.00 58.31 55.75 3e1c n LYS 55 Cb 0.26 -0.79 0.18 0.00 0.02 0.00 0.00 35.03 34.71 3e1c n LYS 55 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3e1c s PRO 56 N 0.24 0.25 0.45 1.64 0.04 -0.88 -4.92 135.00 131.82 3e1c s PRO 56 Ca 0.23 0.34 0.07 0.00 0.04 0.00 0.00 61.00 61.67 3e1c s PRO 56 Cb 0.28 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 33.07 3e1c s PRO 56 CO -0.11 -2.81 0.27 -1.21 0.04 0.00 0.00 177.00 173.17 3e1c s GLU 57 N -5.12 2.29 -0.26 4.56 2.02 0.40 -1.83 118.70 120.76 3e1c s GLU 57 Ca 0.66 -1.86 0.00 0.00 0.02 0.00 0.00 54.97 53.79 3e1c s GLU 57 Cb -0.16 -2.06 0.07 0.00 0.10 0.00 0.00 34.13 32.08 3e1c s GLU 57 CO 0.56 -0.28 0.01 -1.17 0.02 0.00 0.00 175.26 174.40 3e1c s LEU 58 N -4.05 2.63 -0.12 1.80 2.96 0.11 -2.57 118.68 119.43 3e1c s LEU 58 Ca 0.39 -1.37 0.01 0.00 -0.22 0.00 0.00 54.13 52.93 3e1c s LEU 58 Cb 0.01 -1.10 0.02 0.00 0.50 0.00 0.00 46.19 45.62 3e1c s LEU 58 CO 0.22 -0.30 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.21 3e1c s GLU 59 N 1.43 2.06 -0.10 1.98 2.02 -0.82 -1.90 118.70 123.38 3e1c s GLU 59 Ca 0.01 -0.48 -0.00 0.00 0.02 0.00 0.00 54.97 54.51 3e1c s GLU 59 Cb -0.18 -1.87 -0.03 0.00 0.10 0.00 0.00 34.13 32.15 3e1c s GLU 59 CO -0.11 -0.17 -0.07 -0.51 0.02 0.00 0.00 175.26 174.42 3e1c s LEU 60 N 1.33 3.13 -0.49 1.80 1.02 -0.54 -0.09 118.68 124.85 3e1c s LEU 60 Ca 0.00 -0.08 -0.21 0.00 0.02 0.00 0.00 54.13 53.86 3e1c s LEU 60 Cb -0.14 -1.70 0.04 0.00 0.02 0.00 0.00 46.19 44.42 3e1c s LEU 60 CO -0.06 0.29 0.70 -0.89 0.02 0.00 0.00 176.35 176.41 3e1c s THR 61 N -0.40 4.75 0.15 5.49 2.01 0.62 -2.96 115.64 125.30 3e1c s THR 61 Ca 0.06 -0.10 -0.20 0.00 0.31 0.00 0.00 61.69 61.75 3e1c s THR 61 Cb -0.12 -4.31 -0.07 0.00 0.01 0.00 0.00 72.50 68.00 3e1c s THR 61 CO 0.02 -0.79 0.66 -0.76 -0.69 0.00 0.00 174.62 173.06 3e1c s LEU 62 N 2.98 4.47 -1.35 4.42 1.02 0.22 -1.45 118.68 128.98 3e1c s LEU 62 Ca 0.21 1.37 -0.08 0.00 0.02 0.00 0.00 54.13 55.65 3e1c s LEU 62 Cb -0.16 -3.23 0.11 0.00 0.02 0.00 0.00 46.19 42.93 3e1c s LEU 62 CO 0.16 0.17 2.23 1.17 0.02 0.00 0.00 176.35 180.11 3e1c n LYS 63 N 1.28 3.96 -0.05 1.70 4.81 -1.26 -4.64 118.16 123.96 3e1c n LYS 63 Ca -0.06 -3.27 0.00 0.00 -0.87 0.00 0.00 58.31 54.11 3e1c n LYS 63 Cb 0.50 -2.82 0.00 0.00 0.02 0.00 0.00 35.03 32.73 3e1c n LYS 63 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 3e1c n TYR 64 N 3.16 0.00 -1.65 5.64 0.18 -1.26 -4.65 117.16 118.58 3e1c n TYR 64 Ca 0.54 -0.11 -0.49 0.00 1.88 0.00 0.00 57.90 59.73 3e1c n TYR 64 Cb 0.30 -0.27 -0.05 0.00 -0.38 0.00 0.00 39.34 38.95 3e1c n TYR 64 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3e1c n PHE 65 N 1.87 2.03 -0.44 -3.48 7.35 -1.26 -2.88 117.46 120.64 3e1c n PHE 65 Ca 0.00 0.38 0.00 0.00 -0.76 0.00 0.00 57.45 57.07 3e1c n PHE 65 Cb 0.06 -2.48 0.00 0.00 0.35 0.00 0.00 39.48 37.41 3e1c n PHE 65 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3e1c n GLN 66 N 3.45 -0.62 -2.07 -4.13 10.64 -1.26 -1.62 117.38 121.77 3e1c n GLN 66 Ca 0.18 0.10 -0.16 0.00 -1.83 0.00 0.00 57.00 55.30 3e1c n GLN 66 Cb 0.25 -3.61 -0.02 0.00 -0.86 0.00 0.00 30.24 26.00 3e1c n GLN 66 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3e1c n GLY 67 N -0.49 0.22 3.26 2.61 0.00 -1.14 -5.08 105.19 104.57 3e1c n GLY 67 Ca 0.00 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 3e1c n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3e1c s LYS 68 N -4.39 1.16 0.19 1.61 2.20 -0.64 -4.90 119.74 114.97 3e1c s LYS 68 Ca 0.00 -1.05 -0.32 0.00 -0.36 0.00 0.00 55.97 54.24 3e1c s LYS 68 Cb 0.00 -1.35 -0.12 0.00 -1.51 0.00 0.00 37.83 34.86 3e1c s LYS 68 CO 0.00 0.32 1.74 0.00 -0.36 0.00 0.00 175.35 177.06 3e1c n ALA 69 N 1.39 2.66 0.31 3.13 0.00 -1.21 -4.62 120.51 122.16 3e1c n ALA 69 Ca -0.19 0.38 0.15 0.00 0.00 0.00 0.00 53.44 53.79 3e1c n ALA 69 Cb 0.54 -2.53 0.69 0.00 0.00 0.00 0.00 19.45 18.14 3e1c n ALA 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3e1c h VAL 70 N 3.97 0.00 -0.38 0.00 2.07 -1.82 -1.73 116.25 118.36 3e1c h VAL 70 Ca -0.44 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3e1c h VAL 70 Cb 1.21 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3e1c h VAL 70 CO 0.95 0.00 0.00 1.33 0.02 0.00 0.00 177.57 179.87 3e1c n VAL 71 N -2.61 2.07 0.27 2.57 0.24 -1.26 -4.84 118.33 114.76 3e1c n VAL 71 Ca 0.00 -1.56 0.18 0.00 -2.04 0.00 0.00 64.34 60.92 3e1c n VAL 71 Cb 0.18 -0.07 0.88 0.00 -1.47 0.00 0.00 33.84 33.37 3e1c n VAL 71 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 3e1c h GLU 72 N 2.48 0.00 -0.01 7.34 -0.00 -1.69 -2.17 114.58 120.52 3e1c h GLU 72 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3e1c h GLU 72 Cb 1.40 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.15 3e1c h GLU 72 CO 0.22 0.00 -0.12 -1.13 -0.00 0.00 0.00 179.01 177.99 3e1c n SER 73 N -3.28 1.53 -4.45 3.06 3.41 -1.26 -5.02 113.62 107.60 3e1c n SER 73 Ca 0.00 -1.35 -0.38 0.00 -0.26 0.00 0.00 58.87 56.89 3e1c n SER 73 Cb 0.35 0.08 0.05 0.00 -0.26 0.00 0.00 64.21 64.42 3e1c n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3e1c n ILE 74 N 0.01 2.04 -3.44 -1.33 3.06 -0.82 -4.84 119.36 114.03 3e1c n ILE 74 Ca 0.16 -0.47 -0.21 0.00 -2.50 0.00 0.00 62.75 59.73 3e1c n ILE 74 Cb 0.39 -0.67 -0.11 0.00 0.54 0.00 0.00 39.64 39.79 3e1c n ILE 74 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 3e1c s GLN 75 N -2.24 0.28 -0.99 9.51 -0.44 -0.27 -5.03 119.66 120.48 3e1c s GLN 75 Ca 0.67 -0.25 -0.23 0.00 -2.50 0.00 0.00 55.36 53.04 3e1c s GLN 75 Cb -0.41 -0.80 0.00 0.00 -1.64 0.00 0.00 33.01 30.15 3e1c s GLN 75 CO 0.56 -1.03 1.70 0.50 0.50 0.00 0.00 175.29 177.53 3e1c s ARG 76 N 2.29 3.12 -0.04 1.67 3.00 -1.26 -3.18 118.95 124.54 3e1c s ARG 76 Ca 0.09 -0.82 -0.21 0.00 -1.00 0.00 0.00 55.73 53.79 3e1c s ARG 76 Cb -0.14 -5.24 -0.15 0.00 0.00 0.00 0.00 34.95 29.42 3e1c s ARG 76 CO -0.34 -2.80 0.89 -0.24 0.00 0.00 0.00 175.30 172.81 3e1c h VAL 77 N 6.90 0.76 -3.75 7.11 3.04 -1.82 -3.47 116.25 125.02 3e1c h VAL 77 Ca 0.17 -1.03 -0.52 0.00 -1.01 0.00 0.00 66.70 64.31 3e1c h VAL 77 Cb 1.00 1.26 0.05 0.00 -2.01 0.00 0.00 31.29 31.58 3e1c h VAL 77 CO 1.33 0.19 0.62 -0.55 -1.01 0.00 0.00 177.57 178.14 3e1c s SER 78 N -5.39 6.88 0.29 3.17 0.15 -1.25 -5.05 113.70 112.51 3e1c s SER 78 Ca -0.12 2.56 -0.02 0.00 0.70 0.00 0.00 55.95 59.07 3e1c s SER 78 Cb 0.01 -2.64 -0.01 0.00 -1.71 0.00 0.00 66.02 61.67 3e1c s SER 78 CO 0.46 -0.47 0.36 0.00 1.20 0.00 0.00 173.24 174.79 3e1c s ARG 79 N -1.35 1.67 0.22 5.44 3.03 -1.25 -4.99 118.95 121.71 3e1c s ARG 79 Ca 0.50 -1.70 -0.30 0.00 2.03 0.00 0.00 55.73 56.26 3e1c s ARG 79 Cb -0.38 0.39 -0.09 0.00 -1.03 0.00 0.00 34.95 33.84 3e1c s ARG 79 CO 0.48 -0.65 1.21 -2.14 -1.13 0.00 0.00 175.30 173.07 3e1c s PRO 80 N -3.53 4.48 0.00 3.89 0.02 -1.26 -3.22 135.00 135.38 3e1c s PRO 80 Ca 0.33 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.28 3e1c s PRO 80 Cb 0.02 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 31.33 3e1c s PRO 80 CO 0.18 -0.08 0.00 0.41 -0.33 0.00 0.00 177.00 177.19 3e1c n GLY 81 N 1.90 1.22 2.87 0.52 0.00 -1.26 -4.83 105.19 105.61 3e1c n GLY 81 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3e1c n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3e1c n LEU 82 N 0.00 6.73 -4.50 0.99 7.94 -1.20 -5.02 117.00 121.95 3e1c n LEU 82 Ca 0.00 -4.88 -0.32 0.00 -1.11 0.00 0.00 56.01 49.70 3e1c n LEU 82 Cb 0.00 -1.39 0.14 0.00 0.53 0.00 0.00 43.42 42.71 3e1c n LEU 82 CO 0.00 1.57 0.18 0.54 -1.11 0.00 0.00 177.39 178.57 3e1c n ARG 83 N 2.70 -0.48 -3.65 1.96 5.12 -1.25 -3.94 116.66 117.12 3e1c n ARG 83 Ca 0.37 -0.09 -0.29 0.00 -1.93 0.00 0.00 57.85 55.91 3e1c n ARG 83 Cb 0.34 -2.05 -0.13 0.00 -1.16 0.00 0.00 32.46 29.46 3e1c n ARG 83 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3e1c s ILE 84 N -2.48 0.87 -0.10 0.55 1.01 -1.26 -4.94 121.20 114.85 3e1c s ILE 84 Ca 0.61 -1.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.31 3e1c s ILE 84 Cb -0.22 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 3e1c s ILE 84 CO 0.64 -0.84 0.07 -0.31 0.00 0.00 0.00 174.94 174.49 3e1c s TYR 85 N 1.00 3.36 -0.08 3.97 1.51 -1.26 -0.65 117.35 125.20 3e1c s TYR 85 Ca 0.15 0.35 -0.04 0.00 -1.01 0.00 0.00 57.07 56.52 3e1c s TYR 85 Cb -0.22 -1.86 0.04 0.00 -0.11 0.00 0.00 41.96 39.82 3e1c s TYR 85 CO -0.09 0.59 0.18 0.15 -1.11 0.00 0.00 175.55 175.27 3e1c s LYS 86 N -0.95 0.14 0.99 -0.62 -0.14 -0.25 -4.96 119.74 113.94 3e1c s LYS 86 Ca 0.14 0.42 -0.11 0.00 -1.36 0.00 0.00 55.97 55.05 3e1c s LYS 86 Cb -0.12 -0.14 0.18 0.00 -1.68 0.00 0.00 37.83 36.07 3e1c s LYS 86 CO 0.03 -0.16 1.09 1.03 -0.76 0.00 0.00 175.35 176.58 3e1c s ARG 87 N 1.14 0.48 0.64 1.68 0.52 -1.26 -0.52 118.95 121.63 3e1c s ARG 87 Ca -0.09 1.04 0.28 0.00 -0.52 0.00 0.00 55.73 56.45 3e1c s ARG 87 Cb -0.11 -1.70 1.50 0.00 0.52 0.00 0.00 34.95 35.16 3e1c s ARG 87 CO -0.07 -2.83 1.86 1.57 0.02 0.00 0.00 175.30 175.85 3e1c h LYS 88 N -1.99 0.00 0.00 3.54 2.10 -1.87 0.32 116.57 118.67 3e1c h LYS 88 Ca -0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 3e1c h LYS 88 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3e1c h LYS 88 CO 0.49 0.00 -1.35 -0.40 -2.00 0.00 0.00 179.45 176.20 3e1c n ASP 89 N -3.14 0.95 0.06 7.07 5.68 -1.26 -4.48 116.55 121.43 3e1c n ASP 89 Ca 0.02 -0.39 0.01 0.00 -0.50 0.00 0.00 54.79 53.93 3e1c n ASP 89 Cb 0.51 1.44 -0.06 0.00 -1.14 0.00 0.00 41.12 41.87 3e1c n ASP 89 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3e1c h GLU 90 N 0.00 0.00 -6.41 0.11 5.08 -0.75 -3.49 114.58 109.12 3e1c h GLU 90 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 3e1c h GLU 90 Cb 0.61 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.01 3e1c h GLU 90 CO 0.00 0.33 -0.34 1.28 -1.00 0.00 0.00 179.01 179.28 3e1c n LEU 91 N -2.95 0.46 -4.57 1.33 4.77 -0.70 -4.91 117.00 110.43 3e1c n LEU 91 Ca -0.07 0.88 -0.34 0.00 -0.03 0.00 0.00 56.01 56.45 3e1c n LEU 91 Cb 0.81 -1.15 0.11 0.00 -2.33 0.00 0.00 43.42 40.86 3e1c n LEU 91 CO 0.42 -2.79 0.38 -2.65 -1.33 0.00 0.00 177.39 171.43 3e1c n PRO 92 N 0.38 0.11 -2.30 3.23 -0.02 -1.26 -5.00 135.00 130.14 3e1c n PRO 92 Ca 0.11 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3e1c n PRO 92 Cb 0.42 -2.14 0.04 0.00 -0.02 0.00 0.00 33.50 31.80 3e1c n PRO 92 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3e1c n LYS 93 N -2.22 1.06 -1.45 -0.52 5.02 -1.26 -4.78 118.16 114.02 3e1c n LYS 93 Ca 0.11 -2.58 -0.29 0.00 -2.02 0.00 0.00 58.31 53.52 3e1c n LYS 93 Cb 0.51 -0.72 0.19 0.00 -0.02 0.00 0.00 35.03 34.99 3e1c n LYS 93 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3e1c s VAL 94 N -1.91 1.85 -0.34 -0.18 -7.23 -1.26 -3.41 120.40 107.92 3e1c s VAL 94 Ca 0.24 0.00 -0.00 0.00 -1.81 0.00 0.00 61.98 60.41 3e1c s VAL 94 Cb 0.33 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.57 3e1c s VAL 94 CO -0.09 0.00 0.25 0.23 -0.31 0.00 0.00 175.10 175.18 3e1c n MET 95 N -4.16 -0.63 -0.60 4.82 2.81 -1.26 -1.46 117.12 116.63 3e1c n MET 95 Ca 0.11 0.30 0.00 0.00 -1.81 0.00 0.00 57.70 56.30 3e1c n MET 95 Cb 0.59 -0.90 0.00 0.00 -0.71 0.00 0.00 33.22 32.20 3e1c n MET 95 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3e1c n ALA 96 N -1.37 0.00 0.00 3.04 0.00 -1.26 -1.53 120.51 119.39 3e1c n ALA 96 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3e1c n ALA 96 Cb 0.29 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3e1c n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e1c n GLY 97 N 0.39 0.96 0.17 0.00 0.00 -0.54 -5.03 105.19 101.14 3e1c n GLY 97 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3e1c n GLY 97 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3e1c h LEU 98 N 0.00 0.61 0.00 0.99 5.85 -0.91 -3.47 115.31 118.37 3e1c h LEU 98 Ca 0.00 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3e1c h LEU 98 Cb 0.00 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.85 3e1c h LEU 98 CO 0.00 1.28 0.00 0.61 -0.34 0.00 0.00 178.44 179.99 3e1c n GLY 99 N 0.95 -2.07 3.19 3.75 0.00 -0.79 -5.01 105.19 105.21 3e1c n GLY 99 Ca -0.07 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 3e1c n GLY 99 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3e1c s ILE 100 N -3.14 0.02 0.28 -0.61 -4.36 -1.26 -4.73 121.20 107.40 3e1c s ILE 100 Ca 0.00 -1.97 0.03 0.00 -0.26 0.00 0.00 60.65 58.45 3e1c s ILE 100 Cb 0.00 -2.39 -0.06 0.00 1.25 0.00 0.00 42.46 41.26 3e1c s ILE 100 CO 0.00 -0.11 0.03 0.00 0.24 0.00 0.00 174.94 175.10 3e1c s ALA 101 N -4.13 2.05 -0.09 2.27 0.00 -1.26 -1.17 121.76 119.43 3e1c s ALA 101 Ca 0.35 -1.91 0.03 0.00 0.00 0.00 0.00 51.96 50.43 3e1c s ALA 101 Cb 0.07 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.82 3e1c s ALA 101 CO 0.10 -0.29 -0.17 0.08 0.00 0.00 0.00 175.76 175.48 3e1c s VAL 102 N -3.39 1.52 0.42 0.00 1.01 0.10 -1.11 120.40 118.95 3e1c s VAL 102 Ca 0.33 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.68 3e1c s VAL 102 Cb 0.07 -1.36 -0.07 0.00 0.00 0.00 0.00 36.38 35.02 3e1c s VAL 102 CO 0.12 0.44 0.01 0.68 0.00 0.00 0.00 175.10 176.36 3e1c s VAL 103 N 0.65 1.77 -0.11 2.92 -7.23 -0.04 -1.29 120.40 117.07 3e1c s VAL 103 Ca -0.14 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.02 3e1c s VAL 103 Cb -0.16 -2.83 0.03 0.00 0.56 0.00 0.00 36.38 33.98 3e1c s VAL 103 CO 0.04 0.00 -0.05 -0.44 -0.31 0.00 0.00 175.10 174.34 3e1c s SER 104 N -3.72 2.10 0.00 4.85 0.01 -0.63 -2.53 113.70 113.77 3e1c s SER 104 Ca 0.30 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.26 3e1c s SER 104 Cb 0.08 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.60 3e1c s SER 104 CO 0.15 -0.16 0.00 1.07 0.41 0.00 0.00 173.24 174.71 3e1c n THR 105 N 5.00 0.00 0.11 1.44 5.66 -0.48 -0.88 114.28 125.13 3e1c n THR 105 Ca -0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 3e1c n THR 105 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 3e1c n THR 105 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 3e1c n SER 106 N -2.55 0.00 -0.38 1.09 2.88 -1.26 -2.18 113.62 111.21 3e1c n SER 106 Ca 0.00 -0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 3e1c n SER 106 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3e1c n SER 106 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3e1c n LYS 107 N -0.52 0.00 0.00 -1.46 4.76 -1.26 -5.14 118.16 114.54 3e1c n LYS 107 Ca 0.00 -0.85 0.00 0.00 -2.87 0.00 0.00 58.31 54.59 3e1c n LYS 107 Cb 0.00 -0.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.71 3e1c n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3e1c n GLY 108 N 0.00 -0.28 3.81 0.72 0.00 -0.93 -4.93 105.19 103.58 3e1c n GLY 108 Ca 0.00 -2.22 -0.38 0.00 0.00 0.00 0.00 46.02 43.43 3e1c n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3e1c s VAL 109 N 0.00 4.61 0.27 1.61 1.01 -1.26 -1.39 120.40 125.25 3e1c s VAL 109 Ca 0.00 1.31 -0.21 0.00 0.00 0.00 0.00 61.98 63.08 3e1c s VAL 109 Cb 0.00 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.50 3e1c s VAL 109 CO 0.00 0.39 0.80 0.00 0.00 0.00 0.00 175.10 176.29 3e1c s MET 110 N -1.52 1.72 0.51 2.72 0.00 -1.05 -4.94 119.30 116.73 3e1c s MET 110 Ca 0.36 -0.99 -0.19 0.00 0.00 0.00 0.00 55.69 54.88 3e1c s MET 110 Cb -0.19 0.56 -0.08 0.00 0.00 0.00 0.00 34.83 35.13 3e1c s MET 110 CO 0.21 -0.79 1.02 0.95 0.00 0.00 0.00 175.02 176.41 3e1c s THR 111 N -3.42 4.03 0.12 3.16 -4.23 -1.26 -0.86 115.64 113.18 3e1c s THR 111 Ca 0.13 1.13 -0.09 0.00 -1.18 0.00 0.00 61.69 61.68 3e1c s THR 111 Cb -0.05 -3.51 0.12 0.00 1.34 0.00 0.00 72.50 70.41 3e1c s THR 111 CO 0.07 -0.41 0.77 -0.90 -0.54 0.00 0.00 174.62 173.62 3e1c n ASP 112 N -1.30 -0.32 -0.17 3.99 5.75 -0.26 -1.12 116.55 123.11 3e1c n ASP 112 Ca 0.08 0.87 -0.04 0.00 -0.01 0.00 0.00 54.79 55.69 3e1c n ASP 112 Cb 0.53 -0.20 0.05 0.00 -1.03 0.00 0.00 41.12 40.47 3e1c n ASP 112 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3e1c h ARG 113 N 0.00 0.52 -0.03 0.11 3.08 -1.86 0.36 114.38 116.56 3e1c h ARG 113 Ca 0.17 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.99 3e1c h ARG 113 Cb 0.30 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3e1c h ARG 113 CO -0.50 0.34 -0.84 0.00 -1.07 0.00 0.00 179.97 177.91 3e1c h ALA 114 N 1.27 0.51 -0.19 0.04 0.00 -1.52 -2.45 119.26 116.92 3e1c h ALA 114 Ca 0.22 -0.67 -0.19 0.00 0.00 0.00 0.00 54.91 54.28 3e1c h ALA 114 Cb 0.11 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.86 3e1c h ALA 114 CO -0.14 0.82 -0.62 0.00 0.00 0.00 0.00 179.25 179.31 3e1c h ALA 115 N 0.90 0.33 0.07 0.00 0.00 -1.01 -1.90 119.26 117.65 3e1c h ALA 115 Ca -0.05 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.34 3e1c h ALA 115 Cb 1.44 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 3e1c h ALA 115 CO 0.14 0.59 -0.24 0.00 0.00 0.00 0.00 179.25 179.74 3e1c h ARG 116 N 0.47 -0.40 -0.57 0.00 3.08 -0.99 -0.60 114.38 115.38 3e1c h ARG 116 Ca -0.02 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.07 3e1c h ARG 116 Cb 1.24 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.35 3e1c h ARG 116 CO 0.13 -0.26 0.36 0.37 -1.07 0.00 0.00 179.97 179.50 3e1c h GLN 117 N -0.41 0.71 -0.32 0.04 4.15 -1.48 -1.93 115.11 115.87 3e1c h GLN 117 Ca 0.04 -0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.51 3e1c h GLN 117 Cb 0.46 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 3e1c h GLN 117 CO -0.17 0.47 0.46 0.00 -1.93 0.00 0.00 178.83 177.66 3e1c h ALA 118 N 1.23 1.94 -2.82 3.38 0.00 -1.16 -3.47 119.26 118.36 3e1c h ALA 118 Ca 0.22 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 3e1c h ALA 118 Cb -0.03 0.02 0.05 0.00 0.00 0.00 0.00 17.79 17.83 3e1c h ALA 118 CO -0.07 -0.62 -0.31 0.41 0.00 0.00 0.00 179.25 178.66 3e1c n GLY 119 N -1.43 0.16 3.65 0.00 0.00 -0.73 -5.08 105.19 101.76 3e1c n GLY 119 Ca 0.05 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 3e1c n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3e1c s LEU 120 N -3.74 3.25 0.00 0.99 1.43 -0.28 -4.84 118.68 115.48 3e1c s LEU 120 Ca 0.21 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3e1c s LEU 120 Cb -0.09 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.29 3e1c s LEU 120 CO 0.26 0.05 0.09 0.61 0.23 0.00 0.00 176.35 177.59 3e1c n GLY 121 N -0.43 0.63 0.00 -3.19 0.00 -1.26 -3.16 105.19 97.77 3e1c n GLY 121 Ca -0.09 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.99 3e1c n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1c n GLY 122 N 4.29 -2.11 3.75 -0.02 0.00 0.32 -4.62 105.19 106.80 3e1c n GLY 122 Ca 0.02 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 3e1c n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3e1c s GLU 123 N -1.94 4.46 -1.11 1.61 2.56 -0.06 -1.09 118.70 123.14 3e1c s GLU 123 Ca 0.00 2.00 -0.10 0.00 0.00 0.00 0.00 54.97 56.87 3e1c s GLU 123 Cb 0.00 -3.17 0.25 0.00 2.00 0.00 0.00 34.13 33.21 3e1c s GLU 123 CO 0.00 -0.09 1.15 0.42 -0.56 0.00 0.00 175.26 176.18 3e1c s ILE 124 N -0.57 5.80 0.09 -3.70 -1.09 0.17 -1.61 121.20 120.29 3e1c s ILE 124 Ca 0.51 -3.21 -0.36 0.00 -2.23 0.00 0.00 60.65 55.36 3e1c s ILE 124 Cb -0.35 -4.66 -0.17 0.00 -1.58 0.00 0.00 42.46 35.70 3e1c s ILE 124 CO 0.42 -1.26 1.56 0.40 -1.23 0.00 0.00 174.94 174.84 3e1c h ILE 125 N 3.93 0.00 -2.16 2.92 1.08 -1.82 -3.31 117.51 118.16 3e1c h ILE 125 Ca 0.20 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.68 3e1c h ILE 125 Cb 0.89 0.00 -0.22 0.00 -3.07 0.00 0.00 36.82 34.41 3e1c h ILE 125 CO 1.04 0.00 -0.15 0.00 -0.69 0.00 0.00 178.15 178.35 3e1c s TYR 127 N 2.36 1.21 -0.01 0.00 1.51 -1.19 0.00 117.35 121.24 3e1c s TYR 127 Ca -0.07 1.05 -0.04 0.00 -1.01 0.00 0.00 57.07 57.01 3e1c s TYR 127 Cb -0.10 -3.79 -0.02 0.00 -0.11 0.00 0.00 41.96 37.94 3e1c s TYR 127 CO -0.18 -3.11 0.48 0.28 -1.11 0.00 0.00 175.55 171.91 3e1c h VAL 128 N 7.36 0.00 0.00 0.71 2.07 -1.76 -0.70 116.25 123.94 3e1c h VAL 128 Ca -0.31 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3e1c h VAL 128 Cb 1.24 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3e1c h VAL 128 CO 1.08 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.67