#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upu h GLU 22 N 0.00 0.16 -0.66 3.69 4.81 -1.98 0.99 114.58 121.58 1upu h GLU 22 Ca 0.00 -0.05 0.14 0.00 -0.13 0.00 0.00 59.36 59.32 1upu h GLU 22 Cb 0.00 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.27 1upu h GLU 22 CO 0.00 0.43 0.11 1.49 -0.73 0.00 0.00 179.01 180.31 1upu h GLU 23 N -0.14 0.21 -0.10 1.92 4.57 -1.98 1.12 114.58 120.19 1upu h GLU 23 Ca 0.02 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1upu h GLU 23 Cb 0.36 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1upu h GLU 23 CO 0.01 0.14 0.04 0.66 -1.18 0.00 0.00 179.01 178.68 1upu h SER 24 N 0.22 0.14 0.03 1.04 4.64 -1.90 0.35 113.55 118.07 1upu h SER 24 Ca 0.36 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1upu h SER 24 Cb 0.58 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1upu h SER 24 CO -0.49 0.25 -0.01 0.40 -0.87 0.00 0.00 176.83 176.11 1upu h ILE 25 N 0.01 0.97 -0.00 0.95 2.04 0.90 -0.46 117.51 121.92 1upu h ILE 25 Ca 0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.92 1upu h ILE 25 Cb 0.16 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 1upu h ILE 25 CO -0.00 0.00 -0.51 -0.07 0.00 0.00 0.00 178.15 177.56 1upu h LEU 26 N -0.04 -1.58 -0.54 1.44 -0.00 0.14 0.07 115.31 114.80 1upu h LEU 26 Ca -0.00 0.18 0.08 0.00 -0.00 0.00 0.00 57.88 58.14 1upu h LEU 26 Cb 0.03 0.60 -0.07 0.00 -0.00 0.00 0.00 40.66 41.23 1upu h LEU 26 CO 0.00 -0.51 0.18 -0.61 -0.00 0.00 0.00 178.44 177.50 1upu h GLN 27 N -0.66 0.34 -0.60 1.13 5.75 -0.20 0.18 115.11 121.05 1upu h GLN 27 Ca 0.02 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 1upu h GLN 27 Cb 0.71 -0.08 -0.06 0.00 1.07 0.00 0.00 27.48 29.13 1upu h GLN 27 CO -0.35 0.22 0.30 0.22 -2.65 0.00 0.00 178.83 176.56 1upu h ASP 28 N 0.35 0.40 0.21 -0.69 3.58 -0.31 0.59 116.42 120.55 1upu h ASP 28 Ca 0.27 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.75 1upu h ASP 28 Cb 0.32 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1upu h ASP 28 CO -0.29 0.26 -0.10 0.40 -2.88 0.00 0.00 179.24 176.63 1upu h ILE 29 N 0.55 0.80 -0.49 2.25 1.08 -0.41 -0.22 117.51 121.06 1upu h ILE 29 Ca 0.28 -0.01 0.06 0.00 -0.39 0.00 0.00 64.86 64.80 1upu h ILE 29 Cb 0.24 0.80 -0.05 0.00 -3.07 0.00 0.00 36.82 34.74 1upu h ILE 29 CO -0.21 0.00 0.19 0.40 -0.69 0.00 0.00 178.15 177.84 1upu h ILE 30 N -0.29 0.86 0.00 -0.67 2.04 0.19 0.17 117.51 119.82 1upu h ILE 30 Ca -0.03 -0.13 -0.11 0.00 1.00 0.00 0.00 64.86 65.59 1upu h ILE 30 Cb 0.22 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1upu h ILE 30 CO 0.05 0.07 -0.54 0.00 0.00 0.00 0.00 178.15 177.73 1upu h THR 31 N 0.37 1.08 -0.01 -0.27 1.03 0.32 -3.30 112.91 112.14 1upu h THR 31 Ca 0.23 -2.08 -0.21 0.00 -0.01 0.00 0.00 66.41 64.34 1upu h THR 31 Cb 0.22 2.23 0.02 0.00 -1.07 0.00 0.00 68.15 69.55 1upu h THR 31 CO -0.22 0.53 -0.81 -0.09 -0.01 0.00 0.00 175.52 174.92 1upu h ARG 32 N 0.00 0.56 -3.41 0.00 2.43 -0.40 -3.41 114.38 110.15 1upu h ARG 32 Ca -0.01 -0.59 -0.66 0.00 -0.81 0.00 0.00 59.98 57.91 1upu h ARG 32 Cb 1.19 0.17 -0.39 0.00 -0.42 0.00 0.00 29.97 30.52 1upu h ARG 32 CO 0.07 1.21 -0.51 -0.06 -1.51 0.00 0.00 179.97 179.17 1upu s PHE 33 N -3.28 3.31 0.61 2.20 0.08 0.54 -4.93 117.98 116.51 1upu s PHE 33 Ca -0.12 -3.04 0.28 0.00 0.12 0.00 0.00 56.93 54.17 1upu s PHE 33 Cb 0.05 -2.95 1.42 0.00 -0.57 0.00 0.00 43.02 40.98 1upu s PHE 33 CO 0.87 -0.76 1.83 -1.00 -0.10 0.00 0.00 175.22 176.07 1upu h PRO 34 N 6.54 0.00 -0.01 0.24 0.13 -1.81 -0.23 132.00 136.87 1upu h PRO 34 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1upu h PRO 34 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1upu h PRO 34 CO 0.71 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.57 1upu n ASN 35 N -3.48 0.24 -4.86 1.44 5.03 -1.26 -4.80 115.26 107.57 1upu n ASN 35 Ca 0.07 -1.19 -0.32 0.00 0.87 0.00 0.00 54.58 54.01 1upu n ASN 35 Cb 0.68 -0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.39 1upu n ASN 35 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1upu s VAL 36 N -1.99 5.10 -0.14 2.41 0.11 -0.10 -1.78 120.40 124.02 1upu s VAL 36 Ca 0.41 -0.43 -0.00 0.00 -2.93 0.00 0.00 61.98 59.03 1upu s VAL 36 Cb 0.19 -3.43 0.03 0.00 -1.53 0.00 0.00 36.38 31.64 1upu s VAL 36 CO 0.32 0.21 -0.09 0.54 -3.33 0.00 0.00 175.10 172.75 1upu s VAL 37 N -1.39 1.21 -0.16 2.04 0.11 0.16 -4.94 120.40 117.44 1upu s VAL 37 Ca 0.30 -0.48 -0.16 0.00 -2.93 0.00 0.00 61.98 58.72 1upu s VAL 37 Cb -0.13 -1.23 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 1upu s VAL 37 CO 0.22 0.34 0.39 -0.22 -3.33 0.00 0.00 175.10 172.50 1upu s LEU 38 N 1.62 4.23 0.63 2.54 0.20 -1.26 -1.86 118.68 124.78 1upu s LEU 38 Ca 0.04 0.61 -0.18 0.00 0.69 0.00 0.00 54.13 55.29 1upu s LEU 38 Cb -0.13 -2.53 -0.02 0.00 -0.43 0.00 0.00 46.19 43.08 1upu s LEU 38 CO -0.09 0.01 1.29 -0.04 -0.29 0.00 0.00 176.35 177.23 1upu s MET 39 N 0.79 2.67 0.18 1.98 -1.94 -0.80 -4.88 119.30 117.30 1upu s MET 39 Ca 0.21 2.05 -0.31 0.00 -1.71 0.00 0.00 55.69 55.92 1upu s MET 39 Cb -0.14 -1.89 -0.10 0.00 2.01 0.00 0.00 34.83 34.70 1upu s MET 39 CO 0.07 -1.50 1.59 0.21 -0.01 0.00 0.00 175.02 175.38 1upu s LYS 40 N -3.33 4.20 -1.38 2.03 2.20 -1.26 -4.87 119.74 117.33 1upu s LYS 40 Ca 0.81 2.41 -0.15 0.00 -0.36 0.00 0.00 55.97 58.68 1upu s LYS 40 Cb -0.37 -3.13 0.02 0.00 -1.51 0.00 0.00 37.83 32.84 1upu s LYS 40 CO 0.39 -0.62 2.17 1.04 -0.36 0.00 0.00 175.35 177.98 1upu n GLN 41 N 3.80 2.71 -1.85 4.03 1.13 -1.26 -4.91 117.38 121.03 1upu n GLN 41 Ca 0.14 -2.55 -0.31 0.00 -1.94 0.00 0.00 57.00 52.34 1upu n GLN 41 Cb 0.38 -3.26 0.03 0.00 0.11 0.00 0.00 30.24 27.50 1upu n GLN 41 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1upu s THR 42 N 3.49 4.10 0.24 5.09 -4.23 -1.26 -4.89 115.64 118.17 1upu s THR 42 Ca 0.49 0.68 -0.06 0.00 -1.18 0.00 0.00 61.69 61.61 1upu s THR 42 Cb 0.14 -3.65 0.22 0.00 1.34 0.00 0.00 72.50 70.54 1upu s THR 42 CO -0.06 -0.89 1.87 0.00 -0.54 0.00 0.00 174.62 175.00 1upu h ALA 43 N -0.51 1.19 -0.44 3.99 0.00 -1.98 -1.35 119.26 120.16 1upu h ALA 43 Ca -0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1upu h ALA 43 Cb 1.22 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1upu h ALA 43 CO 0.62 0.66 0.22 1.96 0.00 0.00 0.00 179.25 182.72 1upu h GLN 44 N 1.26 0.63 -0.37 0.00 1.08 -1.98 0.38 115.11 116.11 1upu h GLN 44 Ca 0.32 -0.09 0.04 0.00 -1.45 0.00 0.00 58.65 57.48 1upu h GLN 44 Cb 0.01 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.28 1upu h GLN 44 CO -0.05 0.52 0.12 1.25 -0.95 0.00 0.00 178.83 179.73 1upu h LEU 45 N 0.57 0.13 -1.29 1.46 6.46 -1.78 0.13 115.31 121.00 1upu h LEU 45 Ca 0.15 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.92 1upu h LEU 45 Cb 0.09 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 1upu h LEU 45 CO -0.02 0.11 0.07 -0.09 -0.62 0.00 0.00 178.44 177.89 1upu h ARG 46 N 0.27 0.56 -0.41 1.25 2.43 -0.65 -0.38 114.38 117.45 1upu h ARG 46 Ca 0.17 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.14 1upu h ARG 46 Cb 0.15 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1upu h ARG 46 CO -0.17 0.53 -0.13 0.00 -1.51 0.00 0.00 179.97 178.68 1upu h ALA 47 N 1.54 1.00 0.48 2.80 0.00 0.15 0.06 119.26 125.28 1upu h ALA 47 Ca 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1upu h ALA 47 Cb 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1upu h ALA 47 CO -0.00 0.60 -0.23 0.52 0.00 0.00 0.00 179.25 180.14 1upu h MET 48 N 0.67 -0.62 -0.70 0.00 2.86 0.03 -2.08 114.93 115.10 1upu h MET 48 Ca 0.11 0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.93 1upu h MET 48 Cb 0.61 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.36 1upu h MET 48 CO 0.04 -0.32 0.47 0.52 1.06 0.00 0.00 176.91 178.68 1upu h MET 49 N -0.86 0.38 0.17 1.72 2.07 -0.95 0.60 114.93 118.06 1upu h MET 49 Ca -0.07 -0.02 -0.01 0.00 -2.07 0.00 0.00 59.70 57.53 1upu h MET 49 Cb 0.58 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 30.22 1upu h MET 49 CO 0.11 0.25 -0.08 1.15 1.07 0.00 0.00 176.91 179.41 1upu h THR 50 N 0.39 0.89 -0.09 2.22 2.02 -0.77 0.32 112.91 117.90 1upu h THR 50 Ca 0.34 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 67.28 1upu h THR 50 Cb 0.77 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 1upu h THR 50 CO -0.10 0.06 -0.12 0.40 0.37 0.00 0.00 175.52 176.14 1upu h ILE 51 N -0.36 0.69 0.00 3.11 1.08 -0.23 -1.96 117.51 119.85 1upu h ILE 51 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1upu h ILE 51 Cb 0.28 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 34.71 1upu h ILE 51 CO 0.04 0.00 0.00 0.16 -0.69 0.00 0.00 178.15 177.66 1upu h ILE 52 N -0.15 0.00 0.00 -0.67 3.07 -1.09 -2.83 117.51 115.84 1upu h ILE 52 Ca 0.07 -0.49 -0.12 0.00 1.55 0.00 0.00 64.86 65.87 1upu h ILE 52 Cb 0.26 1.45 -0.02 0.00 -0.27 0.00 0.00 36.82 38.24 1upu h ILE 52 CO -0.18 0.00 -0.87 0.03 -1.05 0.00 0.00 178.15 176.08 1upu h ARG 53 N 0.00 0.00 -6.32 0.16 3.08 -0.37 -3.45 114.38 107.47 1upu h ARG 53 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 1upu h ARG 53 Cb 0.52 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.58 1upu h ARG 53 CO 0.00 0.39 1.19 0.34 -1.07 0.00 0.00 179.97 180.82 1upu s ASP 54 N -6.14 6.51 0.36 7.04 -1.08 -0.79 -4.84 116.67 117.73 1upu s ASP 54 Ca 0.01 2.52 0.26 0.00 -0.52 0.00 0.00 52.55 54.82 1upu s ASP 54 Cb 0.08 -2.53 1.27 0.00 -1.46 0.00 0.00 42.92 40.28 1upu s ASP 54 CO 0.77 -1.02 1.78 0.07 0.52 0.00 0.00 175.17 177.29 1upu h LYS 55 N 10.30 0.00 0.00 4.34 2.10 -1.88 -1.87 116.57 129.56 1upu h LYS 55 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1upu h LYS 55 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1upu h LYS 55 CO 0.95 0.00 -0.03 1.49 -2.00 0.00 0.00 179.45 179.86 1upu h GLU 56 N 0.00 0.00 -6.58 0.07 4.57 -1.93 -3.46 114.58 107.25 1upu h GLU 56 Ca 0.00 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 1upu h GLU 56 Cb 0.14 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1upu h GLU 56 CO 0.00 0.00 0.63 -0.08 -1.18 0.00 0.00 179.01 178.38 1upu s THR 57 N -3.12 3.56 0.59 0.32 -1.32 -0.71 -5.00 115.64 109.96 1upu s THR 57 Ca 0.10 1.18 -0.18 0.00 -1.21 0.00 0.00 61.69 61.58 1upu s THR 57 Cb 0.11 -3.76 -0.04 0.00 -1.51 0.00 0.00 72.50 67.31 1upu s THR 57 CO 0.62 0.13 1.15 -2.84 -2.21 0.00 0.00 174.62 171.46 1upu s PRO 58 N 0.57 3.08 0.20 7.08 0.02 -1.26 -4.75 135.00 139.93 1upu s PRO 58 Ca 0.59 1.63 -0.17 0.00 0.02 0.00 0.00 61.00 63.07 1upu s PRO 58 Cb -0.34 -1.97 0.18 0.00 0.02 0.00 0.00 34.50 32.39 1upu s PRO 58 CO 0.33 -1.07 1.61 1.57 -0.33 0.00 0.00 177.00 179.11 1upu h LYS 59 N 0.80 -0.08 -0.85 5.54 2.10 -1.94 0.20 116.57 122.33 1upu h LYS 59 Ca -0.49 0.01 0.06 0.00 -2.00 0.00 0.00 60.65 58.23 1upu h LYS 59 Cb 1.27 0.02 -0.06 0.00 -0.90 0.00 0.00 32.23 32.56 1upu h LYS 59 CO 0.55 -0.05 0.53 1.05 -2.00 0.00 0.00 179.45 179.53 1upu h GLU 60 N -0.08 0.93 0.05 0.07 9.09 -1.96 0.15 114.58 122.83 1upu h GLU 60 Ca 0.26 -0.06 -0.00 0.00 0.05 0.00 0.00 59.36 59.61 1upu h GLU 60 Cb 0.49 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1upu h GLU 60 CO -0.63 0.61 -0.02 0.93 0.05 0.00 0.00 179.01 179.95 1upu h GLU 61 N 0.96 -0.07 -0.63 1.06 4.39 -1.55 -0.80 114.58 117.94 1upu h GLU 61 Ca 0.37 0.00 0.13 0.00 0.34 0.00 0.00 59.36 60.20 1upu h GLU 61 Cb 0.18 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.75 1upu h GLU 61 CO -0.18 0.26 0.11 0.35 -1.16 0.00 0.00 179.01 178.39 1upu h PHE 62 N -0.40 0.16 -0.02 4.33 3.04 -0.38 0.73 116.94 124.40 1upu h PHE 62 Ca -0.01 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1upu h PHE 62 Cb 0.36 0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.90 1upu h PHE 62 CO 0.04 -0.08 0.01 0.28 -2.02 0.00 0.00 178.31 176.54 1upu h VAL 63 N 0.23 1.01 -0.16 1.41 2.07 -0.59 0.13 116.25 120.34 1upu h VAL 63 Ca 0.34 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.86 1upu h VAL 63 Cb 0.53 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 1upu h VAL 63 CO -0.46 0.01 -0.52 0.15 0.02 0.00 0.00 177.57 176.78 1upu h PHE 64 N 0.01 -1.53 -0.32 1.57 3.57 0.58 0.04 116.94 120.86 1upu h PHE 64 Ca 0.01 0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 1upu h PHE 64 Cb 0.01 0.69 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1upu h PHE 64 CO -0.07 -0.53 -0.20 1.88 -2.23 0.00 0.00 178.31 177.16 1upu h TYR 65 N -0.55 0.68 -0.51 0.41 0.05 -0.95 -1.68 116.97 114.42 1upu h TYR 65 Ca 0.05 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.69 1upu h TYR 65 Cb 0.67 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.21 1upu h TYR 65 CO -0.58 0.77 0.33 0.00 -1.05 0.00 0.00 178.16 177.63 1upu h ALA 66 N 1.24 0.65 -0.66 3.88 0.00 -0.12 -0.56 119.26 123.69 1upu h ALA 66 Ca 0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1upu h ALA 66 Cb 0.65 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1upu h ALA 66 CO 0.05 0.11 0.22 -0.44 0.00 0.00 0.00 179.25 179.18 1upu h ASP 67 N 0.69 0.93 -0.56 0.00 3.32 -0.77 0.03 116.42 120.06 1upu h ASP 67 Ca 0.19 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1upu h ASP 67 Cb -0.06 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 1upu h ASP 67 CO -0.04 0.86 0.28 -0.09 -1.72 0.00 0.00 179.24 178.54 1upu h ARG 68 N 0.97 0.80 -0.34 3.56 2.43 -0.47 -2.27 114.38 119.06 1upu h ARG 68 Ca 0.22 -0.11 -0.13 0.00 -0.81 0.00 0.00 59.98 59.15 1upu h ARG 68 Cb 0.26 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1upu h ARG 68 CO -0.01 0.64 -0.32 1.25 -1.51 0.00 0.00 179.97 180.02 1upu h LEU 69 N 0.76 0.78 -1.04 3.80 5.85 -0.80 -2.96 115.31 121.70 1upu h LEU 69 Ca 0.20 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1upu h LEU 69 Cb 0.09 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1upu h LEU 69 CO -0.03 1.04 0.55 0.40 -0.34 0.00 0.00 178.44 180.06 1upu h ILE 70 N 0.63 1.24 0.10 4.05 2.04 -0.65 -1.39 117.51 123.53 1upu h ILE 70 Ca 0.07 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.43 1upu h ILE 70 Cb 0.85 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1upu h ILE 70 CO 0.07 0.25 -0.22 -0.09 0.00 0.00 0.00 178.15 178.17 1upu h ARG 71 N 1.23 -0.39 -0.32 2.37 1.12 -1.26 0.10 114.38 117.24 1upu h ARG 71 Ca 0.32 0.03 0.02 0.00 -1.11 0.00 0.00 59.98 59.24 1upu h ARG 71 Cb -0.07 0.09 -0.03 0.00 -0.01 0.00 0.00 29.97 29.95 1upu h ARG 71 CO -0.06 -0.26 0.16 -0.07 -3.11 0.00 0.00 179.97 176.63 1upu h LEU 72 N -0.40 0.24 -0.29 3.80 3.38 -1.39 -1.15 115.31 119.50 1upu h LEU 72 Ca 0.03 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1upu h LEU 72 Cb 0.43 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1upu h LEU 72 CO -0.13 0.18 -0.08 0.25 0.09 0.00 0.00 178.44 178.75 1upu h LEU 73 N 0.33 -0.29 -0.42 1.67 5.85 -0.88 0.12 115.31 121.69 1upu h LEU 73 Ca 0.13 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1upu h LEU 73 Cb 0.04 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1upu h LEU 73 CO -0.09 -0.10 0.20 0.40 -0.34 0.00 0.00 178.44 178.51 1upu h ILE 74 N -0.01 0.96 -0.88 4.05 1.08 -0.44 0.14 117.51 122.41 1upu h ILE 74 Ca 0.14 -0.14 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 1upu h ILE 74 Cb 0.22 0.52 -0.05 0.00 -3.07 0.00 0.00 36.82 34.44 1upu h ILE 74 CO -0.31 0.07 0.57 -0.33 -0.69 0.00 0.00 178.15 177.47 1upu h GLU 75 N 0.41 1.01 0.07 2.37 4.39 -0.24 0.74 114.58 123.33 1upu h GLU 75 Ca 0.18 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 1upu h GLU 75 Cb 0.10 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1upu h GLU 75 CO -0.14 0.67 -0.03 1.49 -1.16 0.00 0.00 179.01 179.84 1upu h GLU 76 N 1.04 -0.08 -0.38 2.33 4.57 0.08 -3.10 114.58 119.04 1upu h GLU 76 Ca 0.36 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.58 1upu h GLU 76 Cb 0.12 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.69 1upu h GLU 76 CO -0.12 0.05 0.18 0.00 -1.18 0.00 0.00 179.01 177.93 1upu h ALA 77 N 0.72 0.47 0.00 2.92 0.00 -0.19 -2.13 119.26 121.06 1upu h ALA 77 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1upu h ALA 77 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1upu h ALA 77 CO 0.01 -0.20 0.48 -0.07 0.00 0.00 0.00 179.25 179.48 1upu h LEU 78 N 0.36 0.00 -0.01 0.00 3.38 -0.80 0.13 115.31 118.37 1upu h LEU 78 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1upu h LEU 78 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1upu h LEU 78 CO -0.13 0.00 -0.03 0.59 0.09 0.00 0.00 178.44 178.96 1upu n ASN 79 N -2.59 0.05 0.01 -0.43 4.13 -0.80 -3.19 115.26 112.44 1upu n ASN 79 Ca -0.01 0.13 0.14 0.00 1.68 0.00 0.00 54.58 56.52 1upu n ASN 79 Cb 0.51 -0.35 0.55 0.00 -1.54 0.00 0.00 39.78 38.94 1upu n ASN 79 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1upu n GLU 80 N -1.38 0.04 -1.80 3.52 -0.58 0.46 -4.83 120.64 116.06 1upu n GLU 80 Ca 0.10 0.03 -0.32 0.00 -0.42 0.00 0.00 57.16 56.55 1upu n GLU 80 Cb 0.29 -1.54 0.03 0.00 -0.57 0.00 0.00 31.44 29.65 1upu n GLU 80 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1upu s LEU 81 N -3.20 3.30 0.40 -4.62 1.02 -1.19 -5.04 118.68 109.35 1upu s LEU 81 Ca 0.13 1.67 -0.21 0.00 0.02 0.00 0.00 54.13 55.75 1upu s LEU 81 Cb 0.18 -4.51 -0.11 0.00 0.02 0.00 0.00 46.19 41.78 1upu s LEU 81 CO 0.56 -1.26 0.92 -2.16 0.02 0.00 0.00 176.35 174.43 1upu s PRO 82 N -4.65 4.24 0.10 1.29 0.04 -1.26 -5.09 135.00 129.68 1upu s PRO 82 Ca 0.60 1.08 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 1upu s PRO 82 Cb -0.14 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1upu s PRO 82 CO 0.47 0.03 0.04 -0.59 0.04 0.00 0.00 177.00 177.00 1upu s PHE 83 N -2.08 0.71 0.10 0.56 -0.12 -1.26 -4.20 117.98 111.69 1upu s PHE 83 Ca 0.59 -1.14 0.10 0.00 -0.05 0.00 0.00 56.93 56.43 1upu s PHE 83 Cb -0.10 -0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 41.83 1upu s PHE 83 CO 0.15 -0.48 -0.26 -0.65 -0.05 0.00 0.00 175.22 173.92 1upu s GLN 84 N -4.00 1.57 0.42 1.99 -0.21 0.56 -4.95 119.66 115.04 1upu s GLN 84 Ca 0.18 -1.25 -0.24 0.00 0.02 0.00 0.00 55.36 54.06 1upu s GLN 84 Cb 0.07 -1.94 -0.08 0.00 1.00 0.00 0.00 33.01 32.06 1upu s GLN 84 CO -0.02 0.48 1.17 -1.59 -2.12 0.00 0.00 175.29 173.20 1upu s LYS 85 N -1.75 3.96 -0.07 2.91 0.00 -1.26 0.26 119.74 123.79 1upu s LYS 85 Ca 0.13 1.83 -0.04 0.00 0.00 0.00 0.00 55.97 57.89 1upu s LYS 85 Cb -0.10 -2.59 0.03 0.00 0.00 0.00 0.00 37.83 35.17 1upu s LYS 85 CO 0.05 -0.40 0.16 0.21 0.00 0.00 0.00 175.35 175.37 1upu s LYS 86 N -2.43 0.15 -0.10 1.78 2.20 0.52 -4.68 119.74 117.18 1upu s LYS 86 Ca 0.59 0.32 0.01 0.00 -0.36 0.00 0.00 55.97 56.53 1upu s LYS 86 Cb -0.30 -0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 35.95 1upu s LYS 86 CO 0.38 -0.10 -0.12 -2.00 -0.36 0.00 0.00 175.35 173.14 1upu s GLU 87 N 0.68 3.02 0.28 4.03 2.12 -1.26 0.39 118.70 127.96 1upu s GLU 87 Ca -0.05 -0.67 0.02 0.00 0.36 0.00 0.00 54.97 54.63 1upu s GLU 87 Cb -0.07 -2.55 -0.06 0.00 0.26 0.00 0.00 34.13 31.72 1upu s GLU 87 CO -0.03 0.41 0.08 0.14 -0.54 0.00 0.00 175.26 175.32 1upu s VAL 88 N -0.15 0.77 -0.09 3.70 -7.23 -0.51 -4.95 120.40 111.94 1upu s VAL 88 Ca -0.00 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.20 1upu s VAL 88 Cb -0.13 -2.69 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 1upu s VAL 88 CO 0.03 0.00 -0.21 0.28 -0.31 0.00 0.00 175.10 174.89 1upu s THR 89 N -3.60 2.35 1.01 5.32 -1.32 -1.26 -0.18 115.64 117.95 1upu s THR 89 Ca 0.37 -0.93 -0.13 0.00 -1.21 0.00 0.00 61.69 59.80 1upu s THR 89 Cb 0.08 -1.91 0.19 0.00 -1.51 0.00 0.00 72.50 69.36 1upu s THR 89 CO 0.14 0.56 1.10 -0.89 -2.21 0.00 0.00 174.62 173.32 1upu s THR 90 N 0.11 1.99 -1.08 5.08 2.01 -0.09 -4.91 115.64 118.76 1upu s THR 90 Ca -0.10 0.00 0.23 0.00 0.31 0.00 0.00 61.69 62.13 1upu s THR 90 Cb -0.16 -2.52 0.23 0.00 0.01 0.00 0.00 72.50 70.07 1upu s THR 90 CO 0.06 0.00 1.74 -2.65 -0.69 0.00 0.00 174.62 173.08 1upu n PRO 91 N -4.18 0.06 0.00 4.92 -0.02 -1.26 -1.39 135.00 133.13 1upu n PRO 91 Ca 0.05 0.10 0.14 0.00 -2.02 0.00 0.00 63.50 61.77 1upu n PRO 91 Cb 0.58 -1.50 0.57 0.00 -0.02 0.00 0.00 33.50 33.13 1upu n PRO 91 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1upu n LEU 92 N -1.46 1.34 -1.36 2.45 7.99 -1.26 -4.93 117.00 119.77 1upu n LEU 92 Ca 0.07 -0.45 -0.12 0.00 -0.01 0.00 0.00 56.01 55.49 1upu n LEU 92 Cb 0.25 -0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.55 1upu n LEU 92 CO 0.21 0.22 -0.15 0.47 -1.51 0.00 0.00 177.39 176.63 1upu n ASP 93 N 0.05 -4.01 -4.44 -1.43 8.00 -0.49 -5.03 116.55 109.20 1upu n ASP 93 Ca 0.20 0.03 -0.27 0.00 0.71 0.00 0.00 54.79 55.46 1upu n ASP 93 Cb 0.33 -3.13 -0.11 0.00 -0.02 0.00 0.00 41.12 38.18 1upu n ASP 93 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1upu s VAL 94 N -2.60 2.43 0.42 2.53 -7.23 -1.26 -4.88 120.40 109.81 1upu s VAL 94 Ca 0.00 -2.03 -0.16 0.00 -1.81 0.00 0.00 61.98 57.99 1upu s VAL 94 Cb 0.00 -2.17 -0.09 0.00 0.56 0.00 0.00 36.38 34.68 1upu s VAL 94 CO 0.00 -0.13 0.87 -0.55 -0.31 0.00 0.00 175.10 174.97 1upu s SER 95 N -2.73 6.71 0.06 4.85 0.15 -1.26 -0.91 113.70 120.56 1upu s SER 95 Ca 0.22 1.43 0.05 0.00 0.70 0.00 0.00 55.95 58.34 1upu s SER 95 Cb -0.08 -2.44 -0.03 0.00 -1.71 0.00 0.00 66.02 61.77 1upu s SER 95 CO 0.11 -0.40 -0.13 -0.47 1.20 0.00 0.00 173.24 173.55 1upu s TYR 96 N -2.30 1.11 -0.31 3.44 5.04 0.75 -4.91 117.35 120.17 1upu s TYR 96 Ca 0.57 -0.44 -0.04 0.00 -2.44 0.00 0.00 57.07 54.72 1upu s TYR 96 Cb -0.10 -0.64 0.04 0.00 0.35 0.00 0.00 41.96 41.61 1upu s TYR 96 CO 0.24 0.03 0.03 -1.01 -1.34 0.00 0.00 175.55 173.49 1upu s HIS 97 N -1.19 3.23 0.16 4.97 3.76 -1.26 -1.43 115.29 123.53 1upu s HIS 97 Ca -0.03 -1.63 0.01 0.00 -0.15 0.00 0.00 55.06 53.26 1upu s HIS 97 Cb -0.09 -2.16 0.01 0.00 1.11 0.00 0.00 32.58 31.44 1upu s HIS 97 CO 0.02 -0.76 0.09 0.41 -0.85 0.00 0.00 174.74 173.65 1upu n GLY 98 N 4.70 3.21 2.56 -2.22 0.00 1.25 -4.92 105.19 109.76 1upu n GLY 98 Ca -0.13 -2.22 -0.17 0.00 0.00 0.00 0.00 46.02 43.49 1upu n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1upu s VAL 99 N -0.96 -0.23 0.66 1.61 -7.23 -1.26 0.20 120.40 113.19 1upu s VAL 99 Ca 0.07 -1.90 -0.17 0.00 -1.81 0.00 0.00 61.98 58.17 1upu s VAL 99 Cb -0.01 -0.72 -0.01 0.00 0.56 0.00 0.00 36.38 36.20 1upu s VAL 99 CO 0.04 -0.71 1.14 -0.24 -0.31 0.00 0.00 175.10 175.02 1upu n SER 100 N 2.97 1.36 -4.64 4.85 2.88 0.14 -4.36 113.62 116.82 1upu n SER 100 Ca 0.24 0.78 -0.35 0.00 -1.33 0.00 0.00 58.87 58.21 1upu n SER 100 Cb 0.51 -1.48 -0.10 0.00 -0.75 0.00 0.00 64.21 62.39 1upu n SER 100 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1upu s PHE 101 N -1.54 3.27 0.00 0.66 0.40 -1.26 0.21 117.98 119.72 1upu s PHE 101 Ca 0.79 0.09 0.00 0.00 -0.60 0.00 0.00 56.93 57.21 1upu s PHE 101 Cb -0.38 -2.10 0.00 0.00 0.51 0.00 0.00 43.02 41.06 1upu s PHE 101 CO 0.44 0.16 0.66 2.48 0.70 0.00 0.00 175.22 179.66 1upu n TYR 102 N 3.58 0.00 -1.89 0.36 4.11 -1.26 -4.98 117.16 117.08 1upu n TYR 102 Ca -0.16 -0.22 -0.31 0.00 -0.00 0.00 0.00 57.90 57.21 1upu n TYR 102 Cb 0.52 -0.02 0.03 0.00 -0.00 0.00 0.00 39.34 39.86 1upu n TYR 102 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1upu s SER 103 N -0.44 5.90 -0.04 9.48 1.04 -1.26 -5.06 113.70 123.32 1upu s SER 103 Ca 0.00 1.29 -0.15 0.00 0.48 0.00 0.00 55.95 57.57 1upu s SER 103 Cb 0.00 -2.24 -0.05 0.00 0.10 0.00 0.00 66.02 63.83 1upu s SER 103 CO 0.00 -1.06 0.40 -0.54 0.98 0.00 0.00 173.24 173.01 1upu s LYS 104 N -5.25 4.02 0.32 4.02 1.02 -1.26 -5.05 119.74 117.56 1upu s LYS 104 Ca 0.56 0.36 0.01 0.00 0.02 0.00 0.00 55.97 56.93 1upu s LYS 104 Cb -0.11 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 33.90 1upu s LYS 104 CO 0.53 0.54 0.37 0.96 -0.92 0.00 0.00 175.35 176.83 1upu s ILE 105 N -0.58 0.00 0.05 2.17 -4.36 -1.26 -1.71 121.20 115.51 1upu s ILE 105 Ca 0.23 -1.78 -0.27 0.00 -0.26 0.00 0.00 60.65 58.56 1upu s ILE 105 Cb -0.16 -2.56 0.09 0.00 1.25 0.00 0.00 42.46 41.08 1upu s ILE 105 CO 0.11 0.00 0.93 0.00 0.24 0.00 0.00 174.94 176.23 1upu s GLY 107 N -2.67 1.79 -0.03 0.00 0.00 -0.54 -1.17 107.32 104.70 1upu s GLY 107 Ca 0.08 -1.27 -0.01 0.00 0.00 0.00 0.00 44.72 43.52 1upu s GLY 107 CO -0.05 -1.26 0.05 0.14 0.00 0.00 0.00 173.10 171.98 1upu s VAL 108 N -1.31 -0.08 0.09 1.40 1.01 -0.47 -0.50 120.40 120.55 1upu s VAL 108 Ca 0.22 0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.58 1upu s VAL 108 Cb -0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1upu s VAL 108 CO 0.15 0.15 0.04 -0.94 0.00 0.00 0.00 175.10 174.50 1upu s SER 109 N 1.73 5.27 -0.39 3.32 1.04 -0.66 -0.73 113.70 123.28 1upu s SER 109 Ca -0.01 -0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.17 1upu s SER 109 Cb -0.12 -1.33 0.01 0.00 0.10 0.00 0.00 66.02 64.68 1upu s SER 109 CO -0.03 0.16 0.28 -0.63 0.98 0.00 0.00 173.24 174.00 1upu s ILE 110 N -1.39 5.21 0.27 -1.02 1.01 -1.01 -1.26 121.20 123.00 1upu s ILE 110 Ca 0.28 -0.56 -0.29 0.00 0.00 0.00 0.00 60.65 60.07 1upu s ILE 110 Cb -0.12 -3.84 -0.09 0.00 0.01 0.00 0.00 42.46 38.42 1upu s ILE 110 CO 0.20 -0.23 1.23 -0.69 0.00 0.00 0.00 174.94 175.46 1upu s VAL 111 N 1.68 3.17 -0.07 2.92 1.01 -0.12 0.15 120.40 129.14 1upu s VAL 111 Ca 0.05 1.10 0.14 0.00 0.00 0.00 0.00 61.98 63.27 1upu s VAL 111 Cb -0.19 -3.70 -0.21 0.00 0.00 0.00 0.00 36.38 32.28 1upu s VAL 111 CO 0.10 0.23 0.22 -2.11 0.00 0.00 0.00 175.10 173.54 1upu n ARG 112 N 1.53 0.94 -0.34 2.72 1.85 -1.26 -4.46 116.66 117.64 1upu n ARG 112 Ca 0.02 -0.09 0.18 0.00 -1.00 0.00 0.00 57.85 56.96 1upu n ARG 112 Cb 0.43 -1.37 0.40 0.00 -1.05 0.00 0.00 32.46 30.87 1upu n ARG 112 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1upu h ALA 113 N 1.13 1.80 -0.37 2.89 0.00 -1.91 -0.61 119.26 122.19 1upu h ALA 113 Ca -0.15 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1upu h ALA 113 Cb 1.17 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1upu h ALA 113 CO 0.01 -0.32 -0.11 0.78 0.00 0.00 0.00 179.25 179.60 1upu h GLY 114 N 0.53 0.71 -0.36 0.00 0.00 -0.46 -2.97 103.07 100.51 1upu h GLY 114 Ca 0.66 -0.51 0.33 0.00 0.00 0.00 0.00 47.33 47.80 1upu h GLY 114 CO -0.50 0.47 0.80 0.83 0.00 0.00 0.00 176.54 178.14 1upu h GLU 115 N 0.60 0.14 -0.12 4.80 5.08 -1.20 0.27 114.58 124.15 1upu h GLU 115 Ca 0.11 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1upu h GLU 115 Cb 0.55 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1upu h GLU 115 CO 0.03 0.09 0.12 0.66 -1.00 0.00 0.00 179.01 178.91 1upu h SER 116 N 0.15 0.00 0.83 1.42 4.64 -1.62 -0.99 113.55 117.98 1upu h SER 116 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 1upu h SER 116 Cb 2.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.13 1upu h SER 116 CO -0.14 0.00 -0.53 0.23 -0.87 0.00 0.00 176.83 175.53 1upu n MET 117 N -3.97 0.21 -0.14 4.77 2.81 0.96 -4.23 117.12 117.53 1upu n MET 117 Ca -0.00 0.07 -0.04 0.00 -1.81 0.00 0.00 57.70 55.92 1upu n MET 117 Cb 0.23 -1.64 0.03 0.00 -0.71 0.00 0.00 33.22 31.13 1upu n MET 117 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1upu h GLU 118 N 0.00 0.05 -0.14 0.03 5.08 -1.21 -1.51 114.58 116.88 1upu h GLU 118 Ca 0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1upu h GLU 118 Cb 0.68 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1upu h GLU 118 CO 0.00 0.03 0.08 0.66 -1.00 0.00 0.00 179.01 178.78 1upu h SER 119 N 0.05 0.16 -0.18 1.42 4.64 -1.75 0.75 113.55 118.64 1upu h SER 119 Ca 0.22 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.49 1upu h SER 119 Cb 0.33 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1upu h SER 119 CO -0.41 0.12 -0.07 1.23 -0.87 0.00 0.00 176.83 176.83 1upu h GLY 120 N 0.20 0.39 1.00 -0.77 0.00 -1.54 -0.01 103.07 102.35 1upu h GLY 120 Ca 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1upu h GLY 120 CO -0.01 0.31 0.28 -2.00 0.00 0.00 0.00 176.54 175.12 1upu h LEU 121 N 0.06 0.84 -1.42 3.11 5.85 -0.84 -2.57 115.31 120.34 1upu h LEU 121 Ca 0.04 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1upu h LEU 121 Cb 0.53 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1upu h LEU 121 CO 0.02 0.75 -0.25 0.03 -0.34 0.00 0.00 178.44 178.65 1upu h ARG 122 N 0.86 0.00 -0.67 1.25 2.47 -0.63 0.34 114.38 118.01 1upu h ARG 122 Ca 0.21 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.85 1upu h ARG 122 Cb 0.16 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.45 1upu h ARG 122 CO -0.02 0.25 0.12 0.00 0.56 0.00 0.00 179.97 180.88 1upu h ALA 123 N 1.75 0.88 0.00 0.04 0.00 -0.59 -3.26 119.26 118.07 1upu h ALA 123 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1upu h ALA 123 Cb 0.59 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1upu h ALA 123 CO 0.03 0.64 -1.80 1.33 0.00 0.00 0.00 179.25 179.45 1upu n VAL 124 N -4.24 0.09 -3.85 0.00 0.24 -0.95 -4.66 118.33 104.96 1upu n VAL 124 Ca 0.04 -0.48 -0.29 0.00 -2.04 0.00 0.00 64.34 61.57 1upu n VAL 124 Cb 0.29 -0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.52 1upu n VAL 124 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1upu n ARG 126 N 3.02 1.56 -3.07 0.00 3.00 -1.24 -2.03 116.66 117.89 1upu n ARG 126 Ca 0.09 0.56 -0.21 0.00 -0.01 0.00 0.00 57.85 58.28 1upu n ARG 126 Cb 0.34 -2.28 0.01 0.00 0.00 0.00 0.00 32.46 30.53 1upu n ARG 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1upu n GLY 127 N 3.41 -0.50 3.77 -0.13 0.00 -1.26 -4.94 105.19 105.53 1upu n GLY 127 Ca 0.21 0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 1upu n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upu s VAL 128 N -3.00 3.00 0.29 1.61 0.11 -0.86 -4.94 120.40 116.61 1upu s VAL 128 Ca 0.30 0.98 -0.29 0.00 -2.93 0.00 0.00 61.98 60.04 1upu s VAL 128 Cb -0.15 -3.62 -0.10 0.00 -1.53 0.00 0.00 36.38 30.99 1upu s VAL 128 CO 0.36 0.22 1.26 -0.13 -3.33 0.00 0.00 175.10 173.49 1upu s ARG 129 N -1.75 4.43 -0.13 1.54 0.52 -1.26 -4.90 118.95 117.40 1upu s ARG 129 Ca 0.48 2.09 0.03 0.00 -0.52 0.00 0.00 55.73 57.81 1upu s ARG 129 Cb -0.36 -3.13 0.01 0.00 0.52 0.00 0.00 34.95 31.98 1upu s ARG 129 CO 0.48 -0.12 -0.22 0.42 0.02 0.00 0.00 175.30 175.88 1upu s ILE 130 N -0.82 2.12 0.27 1.52 -1.09 -1.26 -1.47 121.20 120.47 1upu s ILE 130 Ca 0.50 -0.97 0.08 0.00 -2.23 0.00 0.00 60.65 58.02 1upu s ILE 130 Cb -0.37 -1.84 -0.04 0.00 -1.58 0.00 0.00 42.46 38.63 1upu s ILE 130 CO 0.47 0.55 0.16 -0.83 -1.23 0.00 0.00 174.94 174.06 1upu s GLY 131 N 0.65 1.56 0.01 6.18 0.00 0.35 -4.79 107.32 111.29 1upu s GLY 131 Ca -0.11 -1.53 0.02 0.00 0.00 0.00 0.00 44.72 43.10 1upu s GLY 131 CO 0.02 -1.56 -0.06 0.54 0.00 0.00 0.00 173.10 172.04 1upu s LYS 132 N -3.83 0.46 -0.06 2.90 1.02 0.77 -1.65 119.74 119.35 1upu s LYS 132 Ca 0.34 -0.40 0.01 0.00 0.02 0.00 0.00 55.97 55.93 1upu s LYS 132 Cb -0.07 -0.36 0.02 0.00 -0.52 0.00 0.00 37.83 36.91 1upu s LYS 132 CO 0.24 0.09 -0.06 0.42 -0.92 0.00 0.00 175.35 175.12 1upu s ILE 133 N -0.61 0.67 -0.26 2.17 -1.09 -0.39 -1.04 121.20 120.66 1upu s ILE 133 Ca -0.03 -0.17 -0.02 0.00 -2.23 0.00 0.00 60.65 58.21 1upu s ILE 133 Cb -0.05 -0.69 0.03 0.00 -1.58 0.00 0.00 42.46 40.17 1upu s ILE 133 CO 0.00 0.27 -0.05 -0.22 -1.23 0.00 0.00 174.94 173.71 1upu s LEU 134 N 1.10 3.32 0.13 2.97 2.96 0.14 -0.95 118.68 128.35 1upu s LEU 134 Ca -0.08 -0.94 0.11 0.00 -0.22 0.00 0.00 54.13 53.00 1upu s LEU 134 Cb -0.14 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1upu s LEU 134 CO -0.01 -0.15 -0.25 -0.63 -1.32 0.00 0.00 176.35 173.99 1upu s ILE 135 N 1.31 2.40 -0.17 6.68 1.01 -1.26 -0.22 121.20 130.96 1upu s ILE 135 Ca -0.01 -1.71 -0.08 0.00 0.00 0.00 0.00 60.65 58.85 1upu s ILE 135 Cb -0.17 -2.08 0.06 0.00 0.01 0.00 0.00 42.46 40.28 1upu s ILE 135 CO -0.04 0.09 0.39 -1.58 0.00 0.00 0.00 174.94 173.80 1upu s GLN 136 N -2.10 0.36 0.42 2.79 2.00 -0.06 -4.89 119.66 118.18 1upu s GLN 136 Ca 0.15 0.81 -0.25 0.00 -2.00 0.00 0.00 55.36 54.07 1upu s GLN 136 Cb -0.10 0.03 -0.08 0.00 0.80 0.00 0.00 33.01 33.66 1upu s GLN 136 CO 0.07 -0.18 1.30 1.03 -0.50 0.00 0.00 175.29 177.01 1upu s ARG 137 N 1.64 3.88 0.21 1.67 0.52 -1.26 -1.04 118.95 124.57 1upu s ARG 137 Ca -0.08 2.14 -0.30 0.00 -0.52 0.00 0.00 55.73 56.97 1upu s ARG 137 Cb -0.09 -2.69 -0.09 0.00 0.52 0.00 0.00 34.95 32.60 1upu s ARG 137 CO -0.12 -0.56 1.24 0.34 0.02 0.00 0.00 175.30 176.22 1upu s ASP 138 N -0.79 7.01 0.23 0.23 -1.08 0.90 -4.84 116.67 118.33 1upu s ASP 138 Ca 0.59 2.33 -0.08 0.00 -0.52 0.00 0.00 52.55 54.86 1upu s ASP 138 Cb -0.38 -2.61 0.37 0.00 -1.46 0.00 0.00 42.92 38.84 1upu s ASP 138 CO 0.48 -0.42 1.70 -0.33 0.52 0.00 0.00 175.17 177.12 1upu h GLU 139 N 5.05 0.28 0.00 4.34 3.07 -1.92 0.40 114.58 125.80 1upu h GLU 139 Ca -0.45 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1upu h GLU 139 Cb 1.21 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1upu h GLU 139 CO 0.74 0.18 -0.37 1.15 -1.40 0.00 0.00 179.01 179.31 1upu h THR 140 N 0.28 0.00 -0.41 1.13 2.02 -1.99 -3.41 112.91 110.53 1upu h THR 140 Ca 0.36 -0.92 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 1upu h THR 140 Cb 0.57 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1upu h THR 140 CO -0.44 0.00 0.12 0.74 0.37 0.00 0.00 175.52 176.31 1upu h THR 141 N -0.92 1.22 0.00 3.16 2.02 -1.97 -3.47 112.91 112.95 1upu h THR 141 Ca 0.00 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1upu h THR 141 Cb 0.37 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1upu h THR 141 CO 0.00 0.26 0.00 0.00 0.37 0.00 0.00 175.52 176.15 1upu n ALA 142 N -2.34 0.00 -2.40 6.16 0.00 0.14 -4.91 120.51 117.16 1upu n ALA 142 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1upu n ALA 142 Cb 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.61 1upu n ALA 142 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1upu s GLU 143 N -0.19 4.36 0.18 0.00 0.41 -1.26 -4.25 118.70 117.95 1upu s GLU 143 Ca 0.00 1.76 -0.30 0.00 -0.41 0.00 0.00 54.97 56.02 1upu s GLU 143 Cb 0.00 -3.51 -0.08 0.00 -1.78 0.00 0.00 34.13 28.77 1upu s GLU 143 CO 0.00 -0.43 1.11 -2.14 -0.49 0.00 0.00 175.26 173.32 1upu s PRO 144 N 1.96 4.58 0.00 0.39 0.02 -1.26 -0.07 135.00 140.62 1upu s PRO 144 Ca 0.58 1.74 0.07 0.00 0.02 0.00 0.00 61.00 63.41 1upu s PRO 144 Cb -0.27 -3.27 -0.02 0.00 0.02 0.00 0.00 34.50 30.96 1upu s PRO 144 CO 0.25 0.05 -0.21 0.15 -0.33 0.00 0.00 177.00 176.90 1upu s LYS 145 N -0.35 1.63 -0.03 5.54 -0.14 -0.21 -4.87 119.74 121.33 1upu s LYS 145 Ca 0.50 -0.82 -0.30 0.00 -1.36 0.00 0.00 55.97 53.99 1upu s LYS 145 Cb -0.30 -1.63 -0.04 0.00 -1.68 0.00 0.00 37.83 34.18 1upu s LYS 145 CO 0.35 0.44 1.18 -1.17 -0.76 0.00 0.00 175.35 175.39 1upu s LEU 146 N -0.71 4.31 -0.10 3.17 2.96 -1.26 -0.88 118.68 126.16 1upu s LEU 146 Ca 0.08 1.84 0.11 0.00 -0.22 0.00 0.00 54.13 55.94 1upu s LEU 146 Cb -0.08 -3.56 -0.15 0.00 0.50 0.00 0.00 46.19 42.89 1upu s LEU 146 CO 0.00 -0.53 0.07 -0.38 -1.32 0.00 0.00 176.35 174.19 1upu n ILE 147 N 4.40 0.70 -3.60 6.68 2.08 0.69 -4.97 119.36 125.34 1upu n ILE 147 Ca 0.10 -0.47 -0.10 0.00 0.56 0.00 0.00 62.75 62.85 1upu n ILE 147 Cb 0.47 -0.58 -0.06 0.00 -0.75 0.00 0.00 39.64 38.72 1upu n ILE 147 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 1upu s TYR 148 N -2.35 -0.40 -0.10 1.39 6.14 -1.00 -4.97 117.35 116.06 1upu s TYR 148 Ca -0.06 0.81 -0.22 0.00 0.64 0.00 0.00 57.07 58.24 1upu s TYR 148 Cb 0.04 0.42 0.05 0.00 0.42 0.00 0.00 41.96 42.89 1upu s TYR 148 CO 0.48 -0.29 0.53 -1.83 0.64 0.00 0.00 175.55 175.08 1upu s GLU 149 N -0.60 0.80 -0.21 4.97 4.04 -1.26 0.23 118.70 126.67 1upu s GLU 149 Ca 0.00 0.32 -0.04 0.00 0.04 0.00 0.00 54.97 55.29 1upu s GLU 149 Cb -0.02 0.38 0.10 0.00 0.02 0.00 0.00 34.13 34.61 1upu s GLU 149 CO -0.02 -0.20 0.31 0.21 -1.84 0.00 0.00 175.26 173.72 1upu s LYS 150 N -0.69 0.26 0.14 -4.83 2.47 -0.20 -5.00 119.74 111.88 1upu s LYS 150 Ca -0.08 0.50 0.05 0.00 -1.56 0.00 0.00 55.97 54.88 1upu s LYS 150 Cb -0.03 -0.59 -0.04 0.00 -1.46 0.00 0.00 37.83 35.71 1upu s LYS 150 CO 0.05 -0.55 -0.12 -0.51 0.16 0.00 0.00 175.35 174.38 1upu s LEU 151 N 2.45 2.48 0.62 5.43 1.43 -1.26 -0.17 118.68 129.66 1upu s LEU 151 Ca 0.08 -0.92 -0.19 0.00 -1.03 0.00 0.00 54.13 52.06 1upu s LEU 151 Cb -0.15 -0.44 -0.02 0.00 0.03 0.00 0.00 46.19 45.62 1upu s LEU 151 CO -0.13 -0.25 1.31 -2.84 0.23 0.00 0.00 176.35 174.68 1upu s PRO 152 N -3.26 2.69 0.33 1.29 0.02 -1.26 -4.90 135.00 129.90 1upu s PRO 152 Ca 0.13 2.12 0.01 0.00 0.02 0.00 0.00 61.00 63.28 1upu s PRO 152 Cb -0.01 -1.95 0.56 0.00 0.02 0.00 0.00 34.50 33.12 1upu s PRO 152 CO 0.02 -1.50 1.93 0.00 -0.33 0.00 0.00 177.00 177.12 1upu h ALA 153 N 0.77 1.42 -0.69 -1.55 0.00 -2.02 -3.12 119.26 114.06 1upu h ALA 153 Ca -0.51 -0.12 -0.34 0.00 0.00 0.00 0.00 54.91 53.94 1upu h ALA 153 Cb 1.33 -0.23 -0.20 0.00 0.00 0.00 0.00 17.79 18.69 1upu h ALA 153 CO 0.54 0.46 0.30 -0.40 0.00 0.00 0.00 179.25 180.15 1upu n ASP 154 N -4.36 3.31 0.06 0.00 5.75 -1.26 -4.67 116.55 115.37 1upu n ASP 154 Ca 0.05 -3.63 0.21 0.00 -0.01 0.00 0.00 54.79 51.40 1upu n ASP 154 Cb 0.13 -0.74 0.74 0.00 -1.03 0.00 0.00 41.12 40.22 1upu n ASP 154 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1upu h ILE 155 N 1.16 0.44 0.00 2.12 2.10 -1.92 -1.11 117.51 120.30 1upu h ILE 155 Ca 0.42 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 66.34 1upu h ILE 155 Cb 2.29 0.66 -0.00 0.00 -1.09 0.00 0.00 36.82 38.67 1upu h ILE 155 CO 0.76 0.00 -0.07 0.08 -1.08 0.00 0.00 178.15 177.84 1upu h ARG 156 N 0.00 0.00 -0.01 2.19 0.11 -1.84 -1.38 114.38 113.46 1upu h ARG 156 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 1upu h ARG 156 Cb 1.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.18 1upu h ARG 156 CO -0.00 0.07 -0.29 0.39 0.10 0.00 0.00 179.97 180.23 1upu n GLU 157 N -4.37 0.73 -2.96 0.08 1.02 -0.42 -4.45 120.64 110.27 1upu n GLU 157 Ca -0.03 -0.43 -0.18 0.00 -0.02 0.00 0.00 57.16 56.50 1upu n GLU 157 Cb 0.15 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.10 1upu n GLU 157 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1upu s ARG 158 N -2.57 2.70 -0.12 3.49 0.52 -0.52 -4.83 118.95 117.62 1upu s ARG 158 Ca 0.22 -1.23 -0.08 0.00 -0.52 0.00 0.00 55.73 54.12 1upu s ARG 158 Cb 0.19 -2.70 -0.04 0.00 0.52 0.00 0.00 34.95 32.92 1upu s ARG 158 CO 0.55 -0.43 0.17 -1.58 0.02 0.00 0.00 175.30 174.02 1upu s TRP 159 N -2.46 3.59 -0.09 -0.53 0.52 -0.69 -4.76 118.94 114.51 1upu s TRP 159 Ca 0.56 0.56 0.04 0.00 0.02 0.00 0.00 56.10 57.28 1upu s TRP 159 Cb -0.09 -2.01 0.00 0.00 -1.15 0.00 0.00 33.47 30.22 1upu s TRP 159 CO 0.35 0.67 -0.22 0.54 0.02 0.00 0.00 176.95 178.31 1upu s VAL 160 N -0.85 1.87 -0.61 4.03 0.11 -0.56 -1.71 120.40 122.67 1upu s VAL 160 Ca 0.15 -0.91 -0.18 0.00 -2.93 0.00 0.00 61.98 58.11 1upu s VAL 160 Cb -0.12 -1.63 0.11 0.00 -1.53 0.00 0.00 36.38 33.21 1upu s VAL 160 CO 0.04 0.52 0.69 -0.04 -3.33 0.00 0.00 175.10 172.99 1upu s MET 161 N 0.41 3.08 -0.20 1.54 -1.94 -0.31 -0.19 119.30 121.69 1upu s MET 161 Ca -0.18 -1.45 -0.28 0.00 -1.71 0.00 0.00 55.69 52.07 1upu s MET 161 Cb -0.18 -4.30 0.00 0.00 2.01 0.00 0.00 34.83 32.36 1upu s MET 161 CO 0.08 -1.51 0.98 -1.17 -0.01 0.00 0.00 175.02 173.39 1upu s LEU 162 N 2.41 4.14 -0.24 -0.03 0.20 0.78 -1.37 118.68 124.56 1upu s LEU 162 Ca 0.11 1.35 -0.06 0.00 0.69 0.00 0.00 54.13 56.23 1upu s LEU 162 Cb -0.24 -3.47 -0.01 0.00 -0.43 0.00 0.00 46.19 42.04 1upu s LEU 162 CO 0.04 -0.57 0.02 -0.76 -0.29 0.00 0.00 176.35 174.79 1upu s LEU 163 N 2.77 3.25 -0.27 -0.68 1.43 0.09 -0.03 118.68 125.24 1upu s LEU 163 Ca 0.43 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1upu s LEU 163 Cb -0.16 -1.84 0.15 0.00 0.03 0.00 0.00 46.19 44.38 1upu s LEU 163 CO 0.10 -0.05 0.53 -0.62 0.23 0.00 0.00 176.35 176.53 1upu s ASP 164 N 1.54 -0.78 0.52 2.29 -1.08 -1.07 -2.42 116.67 115.67 1upu s ASP 164 Ca 0.06 0.83 0.22 0.00 -0.52 0.00 0.00 52.55 53.13 1upu s ASP 164 Cb -0.15 1.81 1.38 0.00 -1.46 0.00 0.00 42.92 44.51 1upu s ASP 164 CO 0.00 -0.26 2.12 1.55 0.52 0.00 0.00 175.17 179.10 1upu h PRO 165 N 8.07 0.00 -4.87 4.34 0.13 -1.81 -3.37 132.00 134.49 1upu h PRO 165 Ca -0.20 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.39 1upu h PRO 165 Cb 1.14 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.95 1upu h PRO 165 CO 0.22 0.08 -0.83 -1.64 -0.23 0.00 0.00 178.00 175.60 1upu s MET 166 N -4.66 1.77 -0.37 0.86 -1.94 -1.26 -1.13 119.30 112.57 1upu s MET 166 Ca -0.04 -0.51 0.02 0.00 -1.71 0.00 0.00 55.69 53.45 1upu s MET 166 Cb 0.15 -1.48 0.11 0.00 2.01 0.00 0.00 34.83 35.62 1upu s MET 166 CO 0.63 0.12 0.12 0.00 -0.01 0.00 0.00 175.02 175.87 1upu n ALA 168 N 4.16 0.00 0.52 0.00 0.00 -1.26 -1.78 120.51 122.16 1upu n ALA 168 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.60 1upu n ALA 168 Cb 0.40 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.15 1upu n ALA 168 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1upu h THR 169 N 0.00 0.00 0.00 0.00 1.35 -1.94 -2.11 112.91 110.21 1upu h THR 169 Ca 0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1upu h THR 169 Cb 0.00 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1upu h THR 169 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1upu n ALA 170 N -1.87 0.00 -0.01 6.62 0.00 -1.26 -4.59 120.51 119.41 1upu n ALA 170 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.39 1upu n ALA 170 Cb 0.46 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 1upu n ALA 170 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1upu h GLY 171 N 0.00 0.02 1.00 0.00 0.00 -1.95 -0.16 103.07 101.98 1upu h GLY 171 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 1upu h GLY 171 CO 0.00 -0.11 0.17 1.48 0.00 0.00 0.00 176.54 178.09 1upu h SER 172 N -0.09 0.84 0.48 0.19 4.64 -1.99 -1.66 113.55 115.96 1upu h SER 172 Ca 0.09 -0.21 -0.14 0.00 -0.47 0.00 0.00 61.79 61.06 1upu h SER 172 Cb 0.22 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1upu h SER 172 CO -0.20 0.83 -0.60 1.62 -0.87 0.00 0.00 176.83 177.61 1upu h VAL 173 N 0.81 1.41 -0.36 0.95 3.04 -1.91 -0.73 116.25 119.45 1upu h VAL 173 Ca 0.18 -2.01 -0.11 0.00 -1.01 0.00 0.00 66.70 63.75 1upu h VAL 173 Cb 0.29 2.05 -0.01 0.00 -2.01 0.00 0.00 31.29 31.61 1upu h VAL 173 CO -0.00 0.58 -0.23 0.00 -1.01 0.00 0.00 177.57 176.91 1upu h LYS 175 N 0.62 0.92 -0.90 0.00 1.63 -0.98 0.15 116.57 118.01 1upu h LYS 175 Ca 0.09 -0.29 -0.02 0.00 -0.85 0.00 0.00 60.65 59.58 1upu h LYS 175 Cb 0.72 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 32.22 1upu h LYS 175 CO 0.06 0.93 0.50 0.00 -3.45 0.00 0.00 179.45 177.48 1upu h ALA 176 N 0.95 1.17 -0.40 5.00 0.00 -0.79 -1.96 119.26 123.24 1upu h ALA 176 Ca 0.15 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1upu h ALA 176 Cb 0.51 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1upu h ALA 176 CO 0.02 0.67 -0.03 0.82 0.00 0.00 0.00 179.25 180.73 1upu h ILE 177 N 1.26 1.27 -0.16 0.00 2.04 -0.14 -2.47 117.51 119.31 1upu h ILE 177 Ca 0.32 -1.07 0.05 0.00 1.00 0.00 0.00 64.86 65.16 1upu h ILE 177 Cb 0.02 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 1upu h ILE 177 CO -0.05 0.36 -0.35 -0.08 0.00 0.00 0.00 178.15 178.03 1upu h GLU 178 N 0.55 -0.39 -0.84 2.37 4.81 -0.09 0.17 114.58 121.15 1upu h GLU 178 Ca 0.11 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1upu h GLU 178 Cb 0.52 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.94 1upu h GLU 178 CO 0.03 -0.26 0.55 -0.24 -0.73 0.00 0.00 179.01 178.36 1upu h VAL 179 N -0.41 1.14 -0.04 0.32 3.04 -1.32 0.14 116.25 119.13 1upu h VAL 179 Ca 0.10 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 1upu h VAL 179 Cb 0.57 0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 29.85 1upu h VAL 179 CO -0.39 0.19 0.02 -0.07 -1.01 0.00 0.00 177.57 176.32 1upu h LEU 180 N 1.05 0.04 -0.82 3.16 -0.00 -0.82 0.30 115.31 118.22 1upu h LEU 180 Ca 0.33 -0.00 0.05 0.00 -0.00 0.00 0.00 57.88 58.26 1upu h LEU 180 Cb 0.02 -0.01 -0.06 0.00 -0.00 0.00 0.00 40.66 40.61 1upu h LEU 180 CO -0.10 0.03 0.50 -0.07 -0.00 0.00 0.00 178.44 178.81 1upu h LEU 181 N 0.05 0.80 -1.13 1.67 3.38 -0.17 0.20 115.31 120.11 1upu h LEU 181 Ca 0.01 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1upu h LEU 181 Cb -0.00 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1upu h LEU 181 CO -0.00 0.53 0.59 -0.09 0.09 0.00 0.00 178.44 179.55 1upu h ARG 182 N 0.94 1.15 0.00 1.13 2.43 0.04 -0.03 114.38 120.04 1upu h ARG 182 Ca 0.35 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1upu h ARG 182 Cb 0.12 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1upu h ARG 182 CO -0.16 0.76 0.00 -0.07 -1.51 0.00 0.00 179.97 178.99 1upu h LEU 183 N 1.18 0.00 0.00 3.80 -0.00 0.15 -3.46 115.31 116.98 1upu h LEU 183 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.21 1upu h LEU 183 Cb -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.56 1upu h LEU 183 CO -0.08 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 178.97 1upu n GLY 184 N -0.05 1.19 3.74 0.83 0.00 -0.03 -4.71 105.19 106.17 1upu n GLY 184 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1upu n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upu s VAL 185 N -2.00 3.84 -0.10 1.61 1.01 -0.84 -4.70 120.40 119.23 1upu s VAL 185 Ca 0.00 1.59 -0.30 0.00 0.00 0.00 0.00 61.98 63.28 1upu s VAL 185 Cb 0.00 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1upu s VAL 185 CO 0.00 0.27 1.14 -0.54 0.00 0.00 0.00 175.10 175.98 1upu s LYS 186 N -0.37 4.35 0.27 2.72 -0.14 -1.26 -4.42 119.74 120.88 1upu s LYS 186 Ca 0.49 1.57 -0.07 0.00 -1.36 0.00 0.00 55.97 56.61 1upu s LYS 186 Cb -0.30 -3.59 0.48 0.00 -1.68 0.00 0.00 37.83 32.75 1upu s LYS 186 CO 0.35 -0.46 1.59 1.49 -0.76 0.00 0.00 175.35 177.56 1upu h GLU 187 N 7.46 0.02 0.00 1.68 4.81 -1.93 1.02 114.58 127.63 1upu h GLU 187 Ca -0.31 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1upu h GLU 187 Cb 1.14 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1upu h GLU 187 CO 0.89 0.01 0.00 -0.85 -0.73 0.00 0.00 179.01 178.34 1upu n GLU 188 N -5.52 0.01 -0.72 1.92 0.00 -1.25 -1.67 120.64 113.41 1upu n GLU 188 Ca 0.16 0.35 0.09 0.00 0.00 0.00 0.00 57.16 57.75 1upu n GLU 188 Cb 0.52 -1.50 0.38 0.00 0.00 0.00 0.00 31.44 30.84 1upu n GLU 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1upu n ARG 189 N -1.48 4.17 -4.14 3.44 1.74 0.35 -4.86 116.66 115.90 1upu n ARG 189 Ca 0.02 -3.01 -0.34 0.00 -0.77 0.00 0.00 57.85 53.75 1upu n ARG 189 Cb 0.09 -2.04 -0.11 0.00 -1.02 0.00 0.00 32.46 29.39 1upu n ARG 189 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1upu s ILE 190 N -2.16 4.41 -0.30 0.55 1.01 -0.67 -1.50 121.20 122.55 1upu s ILE 190 Ca 0.53 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 61.03 1upu s ILE 190 Cb 0.36 -2.98 0.07 0.00 0.01 0.00 0.00 42.46 39.93 1upu s ILE 190 CO 0.22 0.46 -0.03 -0.63 0.00 0.00 0.00 174.94 174.97 1upu s ILE 191 N 0.45 2.47 -0.29 2.92 1.01 0.73 -1.87 121.20 126.62 1upu s ILE 191 Ca 0.01 -1.74 -0.25 0.00 0.00 0.00 0.00 60.65 58.66 1upu s ILE 191 Cb -0.13 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.81 1upu s ILE 191 CO 0.01 -0.21 0.86 0.12 0.00 0.00 0.00 174.94 175.73 1upu s PHE 192 N 1.10 3.23 -0.29 3.97 5.36 0.04 -0.16 117.98 131.23 1upu s PHE 192 Ca -0.03 1.00 -0.10 0.00 -0.96 0.00 0.00 56.93 56.84 1upu s PHE 192 Cb -0.20 -3.25 -0.03 0.00 -0.34 0.00 0.00 43.02 39.20 1upu s PHE 192 CO -0.05 -0.55 0.16 0.08 -1.46 0.00 0.00 175.22 173.40 1upu s VAL 193 N 3.05 4.85 0.05 3.12 1.01 0.95 -0.98 120.40 132.45 1upu s VAL 193 Ca 0.36 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.21 1upu s VAL 193 Cb -0.14 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1upu s VAL 193 CO 0.11 0.18 -0.07 0.21 0.00 0.00 0.00 175.10 175.54 1upu s ASN 194 N 1.68 0.81 -0.16 3.32 3.84 0.86 -2.61 114.94 122.68 1upu s ASN 194 Ca 0.06 -0.64 -0.12 0.00 0.21 0.00 0.00 52.86 52.37 1upu s ASN 194 Cb -0.16 0.06 -0.07 0.00 -0.55 0.00 0.00 41.25 40.53 1upu s ASN 194 CO 0.08 -0.28 -0.13 -0.38 -2.79 0.00 0.00 177.10 173.60 1upu n ILE 195 N 1.17 1.45 -5.07 -5.21 5.41 -0.40 -2.84 119.36 113.88 1upu n ILE 195 Ca -0.21 0.15 -0.29 0.00 1.00 0.00 0.00 62.75 63.40 1upu n ILE 195 Cb 0.56 -2.31 -0.16 0.00 -0.71 0.00 0.00 39.64 37.02 1upu n ILE 195 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1upu s LEU 196 N -8.11 2.01 0.08 1.39 0.20 -0.28 -1.07 118.68 112.90 1upu s LEU 196 Ca -0.19 -0.43 0.02 0.00 0.69 0.00 0.00 54.13 54.22 1upu s LEU 196 Cb 0.03 -1.17 -0.04 0.00 -0.43 0.00 0.00 46.19 44.59 1upu s LEU 196 CO 0.32 0.22 -0.07 0.00 -0.29 0.00 0.00 176.35 176.53 1upu s ALA 197 N -0.20 0.81 -0.07 5.97 0.00 -0.32 -1.30 121.76 126.65 1upu s ALA 197 Ca -0.00 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.83 1upu s ALA 197 Cb -0.11 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1upu s ALA 197 CO 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 175.76 175.61 1upu s ALA 198 N -2.76 3.20 0.34 0.00 0.00 -0.73 -1.47 121.76 120.34 1upu s ALA 198 Ca 0.03 -0.85 0.11 0.00 0.00 0.00 0.00 51.96 51.25 1upu s ALA 198 Cb -0.01 -1.39 0.89 0.00 0.00 0.00 0.00 23.12 22.61 1upu s ALA 198 CO -0.03 0.59 1.78 -1.35 0.00 0.00 0.00 175.76 176.76 1upu h PRO 199 N 5.08 0.59 -0.34 0.00 0.11 -1.85 -0.02 132.00 135.58 1upu h PRO 199 Ca -0.50 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1upu h PRO 199 Cb 1.18 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1upu h PRO 199 CO 0.54 0.39 0.18 0.37 -0.21 0.00 0.00 178.00 179.27 1upu h GLN 200 N 0.61 0.48 -0.52 1.05 4.15 -1.92 -0.72 115.11 118.24 1upu h GLN 200 Ca 0.57 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.92 1upu h GLN 200 Cb 1.10 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.68 1upu h GLN 200 CO -0.34 0.41 0.29 0.78 -1.93 0.00 0.00 178.83 178.03 1upu h GLY 201 N 0.42 0.77 0.80 2.39 0.00 -0.34 -1.80 103.07 105.31 1upu h GLY 201 Ca 0.12 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.12 1upu h GLY 201 CO -0.02 0.33 -0.05 -2.22 0.00 0.00 0.00 176.54 174.58 1upu h ILE 202 N 0.69 0.85 -0.99 2.60 2.04 -0.70 -2.26 117.51 119.74 1upu h ILE 202 Ca 0.18 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.14 1upu h ILE 202 Cb 0.04 0.85 -0.08 0.00 -0.74 0.00 0.00 36.82 36.89 1upu h ILE 202 CO -0.03 0.00 0.63 -0.33 0.00 0.00 0.00 178.15 178.42 1upu h GLU 203 N -0.07 1.01 -0.32 2.37 5.08 -0.83 -2.22 114.58 119.59 1upu h GLU 203 Ca 0.04 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1upu h GLU 203 Cb 0.13 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1upu h GLU 203 CO -0.09 0.67 0.01 -0.09 -1.00 0.00 0.00 179.01 178.51 1upu h ARG 204 N 1.04 0.56 -0.58 2.33 2.43 -0.92 -0.61 114.38 118.64 1upu h ARG 204 Ca 0.46 -0.17 0.05 0.00 -0.81 0.00 0.00 59.98 59.51 1upu h ARG 204 Cb 0.37 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.81 1upu h ARG 204 CO -0.22 0.69 0.30 -0.24 -1.51 0.00 0.00 179.97 178.99 1upu h VAL 205 N 0.37 0.95 0.00 0.20 3.04 -0.86 -0.87 116.25 119.07 1upu h VAL 205 Ca 0.09 -0.20 -0.08 0.00 -1.01 0.00 0.00 66.70 65.51 1upu h VAL 205 Cb 0.42 0.32 -0.01 0.00 -2.01 0.00 0.00 31.29 30.02 1upu h VAL 205 CO 0.01 0.11 -0.36 -0.26 -1.01 0.00 0.00 177.57 176.06 1upu h PHE 206 N 0.58 0.00 -0.45 3.17 0.04 -1.34 0.32 116.94 119.25 1upu h PHE 206 Ca 0.26 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.89 1upu h PHE 206 Cb 0.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1upu h PHE 206 CO -0.10 0.36 -0.26 -0.22 -0.60 0.00 0.00 178.31 177.49 1upu h LYS 207 N 0.00 0.97 0.09 1.51 3.64 -0.38 -3.01 116.57 119.40 1upu h LYS 207 Ca -0.00 -0.45 -0.30 0.00 -1.27 0.00 0.00 60.65 58.63 1upu h LYS 207 Cb 1.06 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1upu h LYS 207 CO 0.05 1.12 -1.54 0.93 -2.27 0.00 0.00 179.45 177.74 1upu h GLU 208 N 0.82 0.19 -2.13 1.90 5.08 -0.91 -3.41 114.58 116.12 1upu h GLU 208 Ca 0.09 -0.33 -0.57 0.00 -1.00 0.00 0.00 59.36 57.56 1upu h GLU 208 Cb 0.85 0.12 -0.39 0.00 0.50 0.00 0.00 28.75 29.83 1upu h GLU 208 CO 0.07 1.02 -1.04 0.66 -1.00 0.00 0.00 179.01 178.73 1upu n TYR 209 N -3.39 -0.23 0.31 4.33 4.01 0.11 -4.98 117.16 117.34 1upu n TYR 209 Ca -0.16 -3.54 0.16 0.00 -0.16 0.00 0.00 57.90 54.20 1upu n TYR 209 Cb 1.04 -0.20 0.83 0.00 -0.31 0.00 0.00 39.34 40.69 1upu n TYR 209 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1upu h PRO 210 N 4.47 0.00 -0.01 -0.72 0.13 -1.70 -2.35 132.00 131.82 1upu h PRO 210 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1upu h PRO 210 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1upu h PRO 210 CO 0.46 0.00 -0.28 1.63 -0.23 0.00 0.00 178.00 179.58 1upu n LYS 211 N -2.98 0.66 -1.90 0.86 5.02 -1.26 -4.92 118.16 113.64 1upu n LYS 211 Ca -0.01 -0.37 -0.29 0.00 -2.02 0.00 0.00 58.31 55.62 1upu n LYS 211 Cb 0.39 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.98 1upu n LYS 211 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1upu s VAL 212 N -2.60 2.46 -0.00 -0.18 -7.23 -0.88 -3.85 120.40 108.12 1upu s VAL 212 Ca 0.22 0.14 0.07 0.00 -1.81 0.00 0.00 61.98 60.61 1upu s VAL 212 Cb 0.19 -3.15 -0.03 0.00 0.56 0.00 0.00 36.38 33.96 1upu s VAL 212 CO 0.55 -0.19 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.80 1upu s ARG 213 N -5.51 2.13 -0.05 4.82 3.00 -0.78 -4.86 118.95 117.69 1upu s ARG 213 Ca 0.61 -0.92 0.03 0.00 0.00 0.00 0.00 55.73 55.44 1upu s ARG 213 Cb -0.11 -2.14 0.01 0.00 0.00 0.00 0.00 34.95 32.71 1upu s ARG 213 CO 0.50 0.56 -0.13 1.41 0.00 0.00 0.00 175.30 177.64 1upu s MET 214 N -0.94 1.59 -0.17 3.54 -2.45 -0.73 -0.78 119.30 119.35 1upu s MET 214 Ca 0.12 -0.43 0.01 0.00 -1.25 0.00 0.00 55.69 54.14 1upu s MET 214 Cb -0.10 -1.35 0.01 0.00 1.25 0.00 0.00 34.83 34.65 1upu s MET 214 CO 0.01 0.09 -0.20 0.08 1.05 0.00 0.00 175.02 176.05 1upu s VAL 215 N 0.45 2.14 0.18 10.11 1.01 -0.16 0.40 120.40 134.52 1upu s VAL 215 Ca -0.10 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1upu s VAL 215 Cb -0.14 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1upu s VAL 215 CO 0.03 0.54 -0.00 0.28 0.00 0.00 0.00 175.10 175.94 1upu s THR 216 N 1.11 0.76 -0.34 3.92 -1.32 -0.78 -0.10 115.64 118.90 1upu s THR 216 Ca 0.00 -1.99 0.18 0.00 -1.21 0.00 0.00 61.69 58.67 1upu s THR 216 Cb -0.14 -2.14 -0.25 0.00 -1.51 0.00 0.00 72.50 68.46 1upu s THR 216 CO -0.08 -0.47 0.54 0.00 -2.21 0.00 0.00 174.62 172.40 1upu n ALA 217 N -0.26 3.31 -3.61 11.08 0.00 -0.36 -1.90 120.51 128.76 1upu n ALA 217 Ca -0.06 -0.46 -0.12 0.00 0.00 0.00 0.00 53.44 52.80 1upu n ALA 217 Cb 0.63 -0.64 -0.06 0.00 0.00 0.00 0.00 19.45 19.38 1upu n ALA 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1upu s ALA 218 N -3.05 -1.89 -0.22 0.00 0.00 -0.23 -4.66 121.76 111.72 1upu s ALA 218 Ca -0.02 1.77 -0.03 0.00 0.00 0.00 0.00 51.96 53.68 1upu s ALA 218 Cb 0.12 -1.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.23 1upu s ALA 218 CO 0.75 -0.29 -0.07 0.08 0.00 0.00 0.00 175.76 176.23 1upu s VAL 219 N -0.24 3.14 0.62 0.00 1.01 -1.26 -1.18 120.40 122.49 1upu s VAL 219 Ca -0.01 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 1upu s VAL 219 Cb -0.03 -2.43 0.07 0.00 0.00 0.00 0.00 36.38 33.99 1upu s VAL 219 CO -0.01 0.42 0.87 -1.81 0.00 0.00 0.00 175.10 174.58 1upu s ASP 220 N 1.44 4.92 -0.05 3.32 1.11 -0.54 -4.92 116.67 121.94 1upu s ASP 220 Ca 0.05 -0.10 -0.26 0.00 0.18 0.00 0.00 52.55 52.43 1upu s ASP 220 Cb -0.14 -0.59 -0.22 0.00 1.07 0.00 0.00 42.92 43.04 1upu s ASP 220 CO -0.05 -1.43 1.12 0.16 1.18 0.00 0.00 175.17 176.15 1upu h ILE 221 N -0.19 1.51 -2.87 0.77 -0.00 -1.84 -3.37 117.51 111.52 1upu h ILE 221 Ca -0.40 -1.59 -0.06 0.00 -0.00 0.00 0.00 64.86 62.80 1upu h ILE 221 Cb 1.29 2.53 -0.01 0.00 -0.00 0.00 0.00 36.82 40.63 1upu h ILE 221 CO 0.49 0.42 0.12 0.00 -0.00 0.00 0.00 178.15 179.18 1upu s LEU 223 N 0.00 2.25 0.46 0.00 2.96 -1.26 0.21 118.68 123.29 1upu s LEU 223 Ca 0.13 -0.65 0.08 0.00 -0.22 0.00 0.00 54.13 53.47 1upu s LEU 223 Cb -0.03 -1.27 0.02 0.00 0.50 0.00 0.00 46.19 45.42 1upu s LEU 223 CO 0.10 0.23 0.59 0.54 -1.32 0.00 0.00 176.35 176.49 1upu s ASN 224 N -1.59 5.44 0.59 3.68 2.20 0.79 -4.90 114.94 121.16 1upu s ASN 224 Ca 0.13 -0.57 0.29 0.00 -0.94 0.00 0.00 52.86 51.76 1upu s ASN 224 Cb -0.10 -0.41 1.54 0.00 -2.00 0.00 0.00 41.25 40.28 1upu s ASN 224 CO 0.04 -0.89 1.96 0.28 -2.94 0.00 0.00 177.10 175.55 1upu h SER 225 N 0.58 0.00 -0.19 3.54 0.02 -2.01 1.39 113.55 116.89 1upu h SER 225 Ca -0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1upu h SER 225 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1upu h SER 225 CO 0.46 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.69 1upu n ARG 226 N -3.71 2.07 -1.90 3.45 1.74 -1.26 -4.94 116.66 112.11 1upu n ARG 226 Ca 0.06 -1.59 -0.01 0.00 -0.77 0.00 0.00 57.85 55.54 1upu n ARG 226 Cb 0.55 -1.46 -0.00 0.00 -1.02 0.00 0.00 32.46 30.53 1upu n ARG 226 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1upu n TYR 227 N 0.85 -0.04 -4.03 -1.55 4.01 0.48 -5.04 117.16 111.83 1upu n TYR 227 Ca 0.17 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.56 1upu n TYR 227 Cb 0.47 -1.08 -0.07 0.00 -0.31 0.00 0.00 39.34 38.35 1upu n TYR 227 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1upu s TYR 228 N -2.05 3.44 0.33 -0.72 2.02 -1.25 -4.76 117.35 114.36 1upu s TYR 228 Ca 0.00 0.38 -0.27 0.00 -0.37 0.00 0.00 57.07 56.80 1upu s TYR 228 Cb 0.00 -1.86 -0.09 0.00 -0.40 0.00 0.00 41.96 39.61 1upu s TYR 228 CO 0.00 0.64 1.12 0.42 -1.57 0.00 0.00 175.55 176.15 1upu s ILE 229 N -1.07 3.41 0.03 2.71 1.01 -1.26 -0.15 121.20 125.88 1upu s ILE 229 Ca 0.18 1.30 0.03 0.00 0.00 0.00 0.00 60.65 62.16 1upu s ILE 229 Cb -0.12 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 1upu s ILE 229 CO 0.08 0.22 -0.10 0.54 0.00 0.00 0.00 174.94 175.68 1upu s VAL 230 N -1.31 0.75 0.10 2.92 0.11 0.55 -2.29 120.40 121.23 1upu s VAL 230 Ca 0.50 -0.88 0.30 0.00 -2.93 0.00 0.00 61.98 58.97 1upu s VAL 230 Cb -0.30 -0.72 0.30 0.00 -1.53 0.00 0.00 36.38 34.13 1upu s VAL 230 CO 0.39 -0.12 1.92 1.55 -3.33 0.00 0.00 175.10 175.50 1upu h PRO 231 N 4.97 0.00 0.00 1.54 0.13 -1.96 -2.61 132.00 134.08 1upu h PRO 231 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1upu h PRO 231 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1upu h PRO 231 CO 0.44 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.62 1upu n GLY 232 N -1.18 0.83 0.00 1.56 0.00 -0.97 -4.75 105.19 100.68 1upu n GLY 232 Ca -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1upu n GLY 232 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1upu n ILE 233 N 0.00 0.00 -2.01 -0.61 0.00 -1.26 -4.87 119.36 110.62 1upu n ILE 233 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 1upu n ILE 233 Cb 0.00 1.75 0.00 0.00 0.00 0.00 0.00 39.64 41.39 1upu n ILE 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1upu n GLY 234 N 0.00 -0.78 3.52 4.50 0.00 -1.26 -4.70 105.19 106.46 1upu n GLY 234 Ca 0.00 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 1upu n GLY 234 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1upu s ASP 235 N -4.00 6.29 0.17 1.61 -1.08 -1.26 -4.91 116.67 113.49 1upu s ASP 235 Ca 0.00 -0.46 -0.16 0.00 -0.52 0.00 0.00 52.55 51.41 1upu s ASP 235 Cb 0.00 -2.46 0.10 0.00 -1.46 0.00 0.00 42.92 39.10 1upu s ASP 235 CO 0.00 -1.38 1.68 0.15 0.52 0.00 0.00 175.17 176.14 1upu h PHE 236 N 9.49 -0.12 -0.06 -5.34 3.04 -1.99 -1.97 116.94 119.98 1upu h PHE 236 Ca -0.27 0.03 0.04 0.00 3.98 0.00 0.00 57.97 61.75 1upu h PHE 236 Cb 1.07 0.11 -0.05 0.00 2.56 0.00 0.00 35.95 39.64 1upu h PHE 236 CO 0.97 -0.13 -0.30 0.78 -2.02 0.00 0.00 178.31 177.61 1upu h GLY 237 N 0.05 -0.43 1.45 2.40 0.00 -1.90 0.29 103.07 104.93 1upu h GLY 237 Ca 0.19 0.36 -0.11 0.00 0.00 0.00 0.00 47.33 47.78 1upu h GLY 237 CO -0.37 -0.22 -0.24 -0.55 0.00 0.00 0.00 176.54 175.16 1upu h ASP 238 N -0.41 0.64 0.01 0.19 3.32 -1.85 -1.62 116.42 116.69 1upu h ASP 238 Ca 0.08 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.92 1upu h ASP 238 Cb 0.52 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1upu h ASP 238 CO -0.29 0.87 -0.07 0.03 -1.72 0.00 0.00 179.24 178.05 1upu h ARG 239 N 0.56 -0.12 -0.12 3.56 3.08 -0.77 0.65 114.38 121.21 1upu h ARG 239 Ca 0.08 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1upu h ARG 239 Cb 0.71 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 1upu h ARG 239 CO 0.05 -0.08 0.00 -0.92 -1.07 0.00 0.00 179.97 177.95 1upu h TYR 240 N -0.13 0.23 -0.00 3.04 5.03 -0.42 -3.21 116.97 121.50 1upu h TYR 240 Ca 0.03 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1upu h TYR 240 Cb 0.16 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.38 1upu h TYR 240 CO -0.14 0.45 -0.18 1.19 -1.32 0.00 0.00 178.16 178.16 1upu n PHE 241 N -4.80 0.00 -2.39 -3.82 3.72 -0.61 -4.91 117.46 104.65 1upu n PHE 241 Ca -0.06 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.26 1upu n PHE 241 Cb 0.20 -0.21 0.01 0.00 -0.94 0.00 0.00 39.48 38.54 1upu n PHE 241 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1upu n GLY 242 N 1.34 0.16 1.98 1.37 0.00 0.21 -4.94 105.19 105.31 1upu n GLY 242 Ca 0.12 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.45 1upu n GLY 242 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1upu n THR 243 N -3.83 3.09 0.82 2.61 -2.24 -0.24 -5.01 114.28 109.48 1upu n THR 243 Ca -0.06 -2.32 0.10 0.00 -2.27 0.00 0.00 64.05 59.50 1upu n THR 243 Cb 0.56 -0.54 0.08 0.00 -2.10 0.00 0.00 70.33 68.33 1upu n THR 243 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65