#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugq s GLU 3 N 0.00 4.45 -0.18 -2.82 2.12 -1.26 -5.02 118.70 115.99 1ugq s GLU 3 Ca 0.00 2.06 -0.04 0.00 0.36 0.00 0.00 54.97 57.35 1ugq s GLU 3 Cb 0.00 -3.13 0.08 0.00 0.26 0.00 0.00 34.13 31.34 1ugq s GLU 3 CO 0.00 -0.07 0.17 1.21 -0.54 0.00 0.00 175.26 176.03 1ugq s ASN 4 N -0.49 1.67 0.00 -1.70 3.84 -1.26 -5.02 114.94 111.98 1ugq s ASN 4 Ca 0.49 -0.32 0.10 0.00 0.21 0.00 0.00 52.86 53.34 1ugq s ASN 4 Cb -0.37 0.16 0.46 0.00 -0.55 0.00 0.00 41.25 40.95 1ugq s ASN 4 CO 0.47 -0.33 1.31 2.30 -2.79 0.00 0.00 177.10 178.06 1ugq n ILE 5 N 5.31 1.19 0.54 -5.21 -5.35 -1.26 -2.14 119.36 112.43 1ugq n ILE 5 Ca -0.06 0.30 0.11 0.00 -0.27 0.00 0.00 62.75 62.83 1ugq n ILE 5 Cb 0.49 -1.12 0.05 0.00 -1.74 0.00 0.00 39.64 37.33 1ugq n ILE 5 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1ugq n LEU 6 N -1.46 0.63 -4.73 7.28 4.77 -1.26 -4.95 117.00 117.28 1ugq n LEU 6 Ca 0.03 0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.66 1ugq n LEU 6 Cb 0.11 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1ugq n LEU 6 CO 0.09 0.01 0.60 -0.60 -1.33 0.00 0.00 177.39 176.16 1ugq s ARG 7 N -3.20 4.60 1.10 3.23 3.52 -0.91 -5.06 118.95 122.23 1ugq s ARG 7 Ca 0.04 1.31 -0.14 0.00 -0.13 0.00 0.00 55.73 56.81 1ugq s ARG 7 Cb 0.14 -3.39 0.24 0.00 -1.56 0.00 0.00 34.95 30.38 1ugq s ARG 7 CO 0.78 0.17 1.06 0.15 -0.81 0.00 0.00 175.30 176.66 1ugq s LYS 8 N 0.23 -0.40 0.65 5.12 1.02 -1.26 -4.99 119.74 120.10 1ugq s LYS 8 Ca 0.45 0.52 -0.14 0.00 0.02 0.00 0.00 55.97 56.82 1ugq s LYS 8 Cb -0.22 -1.64 -0.01 0.00 -0.52 0.00 0.00 37.83 35.44 1ugq s LYS 8 CO 0.27 -3.29 1.07 -1.54 -0.92 0.00 0.00 175.35 170.94 1ugq s SER 9 N -3.17 5.41 0.40 2.83 1.04 -1.26 -4.85 113.70 114.10 1ugq s SER 9 Ca 0.67 1.83 0.09 0.00 0.48 0.00 0.00 55.95 59.02 1ugq s SER 9 Cb -0.20 -2.53 0.87 0.00 0.10 0.00 0.00 66.02 64.26 1ugq s SER 9 CO 0.60 -1.42 1.99 0.44 0.98 0.00 0.00 173.24 175.83 1ugq h ASP 10 N -0.03 0.52 -0.15 7.02 3.45 -1.99 -1.15 116.42 124.08 1ugq h ASP 10 Ca -0.46 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 56.99 1ugq h ASP 10 Cb 1.23 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.88 1ugq h ASP 10 CO 0.56 0.34 0.05 -0.08 -1.57 0.00 0.00 179.24 178.53 1ugq h GLU 11 N 0.59 0.24 -0.59 3.56 4.81 -1.99 -0.71 114.58 120.48 1ugq h GLU 11 Ca 0.26 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1ugq h GLU 11 Cb 0.27 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1ugq h GLU 11 CO -0.08 0.37 0.02 0.93 -0.73 0.00 0.00 179.01 179.52 1ugq h GLU 12 N 0.07 1.02 -0.16 1.92 4.39 -1.79 -1.55 114.58 118.48 1ugq h GLU 12 Ca 0.05 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1ugq h GLU 12 Cb 0.23 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1ugq h GLU 12 CO -0.00 0.98 0.10 0.82 -1.16 0.00 0.00 179.01 179.75 1ugq h ILE 13 N 0.94 1.06 -0.84 3.13 2.04 -1.09 -1.38 117.51 121.36 1ugq h ILE 13 Ca 0.17 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1ugq h ILE 13 Cb 0.52 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1ugq h ILE 13 CO 0.03 0.05 0.46 1.56 0.00 0.00 0.00 178.15 180.24 1ugq h GLN 14 N 0.20 1.16 -0.66 2.37 1.08 -0.95 -1.32 115.11 116.99 1ugq h GLN 14 Ca 0.06 -0.13 -0.08 0.00 -1.45 0.00 0.00 58.65 57.04 1ugq h GLN 14 Cb 0.00 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.18 1ugq h GLN 14 CO -0.01 0.85 0.09 -0.22 -0.95 0.00 0.00 178.83 178.59 1ugq h LYS 15 N 1.17 1.10 -0.13 1.46 3.64 -0.94 -1.23 116.57 121.63 1ugq h LYS 15 Ca 0.29 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1ugq h LYS 15 Cb 0.03 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1ugq h LYS 15 CO -0.05 1.02 -0.08 1.49 -2.27 0.00 0.00 179.45 179.56 1ugq h GLU 16 N 1.02 0.29 -0.52 1.90 4.57 -0.96 -2.85 114.58 118.03 1ugq h GLU 16 Ca 0.20 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1ugq h GLU 16 Cb 0.46 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 1ugq h GLU 16 CO 0.02 0.64 0.31 0.82 -1.18 0.00 0.00 179.01 179.61 1ugq h ILE 17 N -0.07 1.16 -0.68 2.32 2.04 -1.21 -1.62 117.51 119.45 1ugq h ILE 17 Ca 0.03 -0.37 0.08 0.00 1.00 0.00 0.00 64.86 65.59 1ugq h ILE 17 Cb 0.56 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 1ugq h ILE 17 CO 0.02 0.17 0.35 0.74 0.00 0.00 0.00 178.15 179.43 1ugq h THR 18 N 0.70 0.89 -0.45 -0.27 2.02 -1.23 0.74 112.91 115.31 1ugq h THR 18 Ca 0.19 -0.21 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 1ugq h THR 18 Cb -0.00 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 1ugq h THR 18 CO -0.03 0.11 -0.05 0.00 0.37 0.00 0.00 175.52 175.91 1ugq h ALA 19 N 1.39 0.61 -0.68 6.16 0.00 -1.23 -1.41 119.26 124.11 1ugq h ALA 19 Ca 0.32 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1ugq h ALA 19 Cb 0.30 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1ugq h ALA 19 CO -0.24 0.46 0.12 0.00 0.00 0.00 0.00 179.25 179.59 1ugq h ARG 20 N 0.67 1.11 -0.28 0.00 3.08 -0.66 -1.70 114.38 116.59 1ugq h ARG 20 Ca 0.12 -0.29 -0.11 0.00 0.07 0.00 0.00 59.98 59.77 1ugq h ARG 20 Cb 0.58 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1ugq h ARG 20 CO 0.03 1.01 -0.27 0.28 -1.07 0.00 0.00 179.97 179.95 1ugq h VAL 21 N 1.04 1.30 -0.23 2.04 2.07 -0.79 -1.69 116.25 120.00 1ugq h VAL 21 Ca 0.21 -1.43 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 1ugq h VAL 21 Cb 0.43 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1ugq h VAL 21 CO 0.01 0.46 -0.15 0.50 0.02 0.00 0.00 177.57 178.41 1ugq h LYS 22 N 0.42 0.38 0.02 1.57 3.64 -1.17 0.92 116.57 122.35 1ugq h LYS 22 Ca 0.05 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1ugq h LYS 22 Cb 0.83 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1ugq h LYS 22 CO 0.07 0.53 -0.01 0.00 -2.27 0.00 0.00 179.45 177.77 1ugq h ALA 23 N 1.49 -0.03 -0.84 5.00 0.00 -1.20 -1.08 119.26 122.60 1ugq h ALA 23 Ca 0.07 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1ugq h ALA 23 Cb 0.48 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1ugq h ALA 23 CO 0.03 -0.31 0.56 1.25 0.00 0.00 0.00 179.25 180.77 1ugq h LEU 24 N -0.44 0.96 -0.73 0.00 5.85 -1.10 -2.20 115.31 117.64 1ugq h LEU 24 Ca -0.00 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1ugq h LEU 24 Cb 0.42 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1ugq h LEU 24 CO 0.01 0.69 0.48 -0.08 -0.34 0.00 0.00 178.44 179.19 1ugq h GLU 25 N 1.13 0.93 -0.56 1.25 4.81 -0.74 -1.04 114.58 120.36 1ugq h GLU 25 Ca 0.31 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1ugq h GLU 25 Cb -0.12 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.02 1ugq h GLU 25 CO -0.07 0.62 0.29 0.66 -0.73 0.00 0.00 179.01 179.78 1ugq h SER 26 N 0.96 0.69 -0.09 1.04 4.64 -0.59 -0.85 113.55 119.35 1ugq h SER 26 Ca 0.28 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.45 1ugq h SER 26 Cb -0.07 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 1ugq h SER 26 CO -0.08 0.57 -0.29 0.24 -0.87 0.00 0.00 176.83 176.40 1ugq h MET 27 N 0.78 0.36 -0.43 4.77 2.86 -0.95 -2.18 114.93 120.15 1ugq h MET 27 Ca 0.20 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1ugq h MET 27 Cb 0.04 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1ugq h MET 27 CO -0.03 0.89 0.16 -0.07 1.06 0.00 0.00 176.91 178.91 1ugq h LEU 28 N -0.09 0.55 -0.32 1.22 3.38 -1.00 -1.46 115.31 117.59 1ugq h LEU 28 Ca -0.01 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1ugq h LEU 28 Cb 0.92 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1ugq h LEU 28 CO 0.06 0.52 0.03 0.40 0.09 0.00 0.00 178.44 179.54 1ugq h ILE 29 N 0.61 1.24 0.00 1.22 2.04 -1.13 -2.60 117.51 118.89 1ugq h ILE 29 Ca 0.15 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 1ugq h ILE 29 Cb 0.15 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1ugq h ILE 29 CO -0.01 0.28 -0.15 -0.33 0.00 0.00 0.00 178.15 177.94 1ugq h GLU 30 N 0.35 0.00 0.00 2.37 5.08 -0.81 -0.33 114.58 121.24 1ugq h GLU 30 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1ugq h GLU 30 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1ugq h GLU 30 CO 0.01 0.15 0.00 1.04 -1.00 0.00 0.00 179.01 179.21 1ugq n GLN 31 N -4.16 0.15 -0.98 2.33 6.02 -0.60 -4.91 117.38 115.24 1ugq n GLN 31 Ca -0.02 0.24 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1ugq n GLN 31 Cb 0.23 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 29.76 1ugq n GLN 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ugq n GLY 32 N 0.76 0.43 0.23 1.08 0.00 -0.13 -4.93 105.19 102.62 1ugq n GLY 32 Ca 0.04 -0.78 0.07 0.00 0.00 0.00 0.00 46.02 45.35 1ugq n GLY 32 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ugq n ILE 33 N -2.98 0.00 -4.01 -0.61 -5.35 -1.03 -4.96 119.36 100.43 1ugq n ILE 33 Ca 0.00 -0.31 -0.15 0.00 -0.27 0.00 0.00 62.75 62.02 1ugq n ILE 33 Cb 0.00 1.12 -0.15 0.00 -1.74 0.00 0.00 39.64 38.87 1ugq n ILE 33 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1ugq s LEU 34 N -2.09 1.87 0.13 7.28 2.96 -1.20 -5.00 118.68 122.62 1ugq s LEU 34 Ca 0.10 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 1ugq s LEU 34 Cb 0.11 -0.16 -0.04 0.00 0.50 0.00 0.00 46.19 46.60 1ugq s LEU 34 CO 0.40 0.01 -0.03 0.42 -1.32 0.00 0.00 176.35 175.84 1ugq s THR 35 N 0.11 0.59 0.26 3.68 -4.23 -1.26 -4.14 115.64 110.65 1ugq s THR 35 Ca -0.01 -1.94 -0.01 0.00 -1.18 0.00 0.00 61.69 58.55 1ugq s THR 35 Cb -0.03 -1.87 0.07 0.00 1.34 0.00 0.00 72.50 72.00 1ugq s THR 35 CO -0.00 -0.69 1.70 0.71 -0.54 0.00 0.00 174.62 175.79 1ugq h THR 36 N 2.87 1.26 -0.43 3.99 1.35 -2.01 -2.48 112.91 117.46 1ugq h THR 36 Ca -0.36 -1.23 -0.07 0.00 -0.55 0.00 0.00 66.41 64.20 1ugq h THR 36 Cb 1.18 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 1ugq h THR 36 CO 0.63 0.41 -0.04 0.77 -0.25 0.00 0.00 175.52 177.04 1ugq h SER 37 N 0.57 0.68 -0.61 5.36 4.64 -1.98 -0.53 113.55 121.68 1ugq h SER 37 Ca 0.09 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 61.17 1ugq h SER 37 Cb 0.65 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1ugq h SER 37 CO 0.05 0.78 0.10 -0.03 -0.87 0.00 0.00 176.83 176.85 1ugq h MET 38 N 0.66 1.01 -0.08 4.77 -1.53 -1.93 0.32 114.93 118.15 1ugq h MET 38 Ca 0.13 -0.27 -0.00 0.00 -3.44 0.00 0.00 59.70 56.11 1ugq h MET 38 Cb 0.47 -0.12 -0.00 0.00 -0.55 0.00 0.00 31.60 31.40 1ugq h MET 38 CO 0.02 0.95 0.04 0.82 0.14 0.00 0.00 176.91 178.88 1ugq h ILE 39 N 0.91 1.12 -0.56 1.77 2.04 -1.06 -2.17 117.51 119.56 1ugq h ILE 39 Ca 0.18 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.64 1ugq h ILE 39 Cb 0.43 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1ugq h ILE 39 CO 0.01 0.10 0.12 0.44 0.00 0.00 0.00 178.15 178.82 1ugq h ASP 40 N 0.00 0.82 -0.31 1.72 3.32 -0.92 -2.24 116.42 118.81 1ugq h ASP 40 Ca 0.03 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 1ugq h ASP 40 Cb 0.13 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1ugq h ASP 40 CO -0.00 0.81 0.04 -0.09 -1.72 0.00 0.00 179.24 178.28 1ugq h ARG 41 N 0.84 0.53 -0.56 3.56 9.65 -0.79 0.09 114.38 127.70 1ugq h ARG 41 Ca 0.18 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1ugq h ARG 41 Cb 0.33 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 1ugq h ARG 41 CO 0.00 0.64 0.30 0.52 2.80 0.00 0.00 179.97 184.23 1ugq h MET 42 N 0.34 0.79 -0.54 0.20 2.86 -1.27 -1.82 114.93 115.50 1ugq h MET 42 Ca 0.09 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1ugq h MET 42 Cb 0.37 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1ugq h MET 42 CO 0.01 0.62 0.15 0.00 1.06 0.00 0.00 176.91 178.75 1ugq h ALA 43 N 1.13 0.71 -0.44 6.32 0.00 -1.29 -2.95 119.26 122.74 1ugq h ALA 43 Ca 0.20 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1ugq h ALA 43 Cb 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1ugq h ALA 43 CO -0.03 0.39 0.24 1.49 0.00 0.00 0.00 179.25 181.34 1ugq h GLU 44 N 0.76 0.46 -0.43 0.00 4.81 -0.73 -1.46 114.58 117.98 1ugq h GLU 44 Ca 0.17 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1ugq h GLU 44 Cb 0.31 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1ugq h GLU 44 CO -0.00 0.31 0.24 0.82 -0.73 0.00 0.00 179.01 179.64 1ugq h ILE 45 N 0.48 1.01 -0.01 2.32 2.04 -1.18 -1.80 117.51 120.37 1ugq h ILE 45 Ca 0.19 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1ugq h ILE 45 Cb 0.06 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1ugq h ILE 45 CO -0.11 0.09 -0.08 -1.22 0.00 0.00 0.00 178.15 176.83 1ugq n TYR 46 N -4.88 0.00 -0.04 1.37 4.02 -1.12 -0.42 117.16 116.09 1ugq n TYR 46 Ca 0.02 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.94 1ugq n TYR 46 Cb 0.09 -0.05 -0.15 0.00 -0.02 0.00 0.00 39.34 39.20 1ugq n TYR 46 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1ugq n GLU 47 N -0.27 0.73 0.00 -0.72 1.02 -0.57 -4.74 120.64 116.09 1ugq n GLU 47 Ca 0.17 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1ugq n GLU 47 Cb 0.32 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1ugq n GLU 47 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ugq n ASN 48 N -2.39 1.72 -0.11 1.62 3.02 -0.69 -4.97 115.26 113.45 1ugq n ASN 48 Ca -0.14 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.18 1ugq n ASN 48 Cb 0.74 0.33 -0.08 0.00 -0.61 0.00 0.00 39.78 40.17 1ugq n ASN 48 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ugq n GLU 49 N -0.54 0.50 -3.57 3.52 1.02 0.01 -4.94 120.64 116.64 1ugq n GLU 49 Ca 0.00 0.22 -0.39 0.00 -0.02 0.00 0.00 57.16 56.96 1ugq n GLU 49 Cb 0.01 -1.34 -0.11 0.00 -0.02 0.00 0.00 31.44 29.98 1ugq n GLU 49 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ugq s VAL 50 N -2.47 5.24 0.38 2.62 1.01 0.44 -4.98 120.40 122.64 1ugq s VAL 50 Ca -0.32 -0.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 1ugq s VAL 50 Cb 0.12 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.93 1ugq s VAL 50 CO 0.41 0.11 0.69 0.61 0.00 0.00 0.00 175.10 176.92 1ugq n GLY 51 N 5.08 1.36 0.00 4.51 0.00 -1.26 -4.39 105.19 110.48 1ugq n GLY 51 Ca -0.13 -1.38 0.02 0.00 0.00 0.00 0.00 46.02 44.53 1ugq n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ugq n PRO 52 N -0.55 0.00 0.24 1.61 -0.04 -1.16 -1.65 135.00 133.45 1ugq n PRO 52 Ca -0.06 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 1ugq n PRO 52 Cb 0.59 -1.51 0.57 0.00 -0.04 0.00 0.00 33.50 33.11 1ugq n PRO 52 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1ugq h HIS 53 N 0.00 0.00 -0.08 0.54 2.07 -1.92 -1.24 115.15 114.52 1ugq h HIS 53 Ca 0.00 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.42 1ugq h HIS 53 Cb 0.08 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.06 1ugq h HIS 53 CO 0.00 0.16 -0.32 -0.07 -3.07 0.00 0.00 177.93 174.63 1ugq h LEU 54 N 0.00 0.43 -1.32 6.12 3.38 -1.47 -2.72 115.31 119.72 1ugq h LEU 54 Ca -0.00 -0.63 -0.01 0.00 0.09 0.00 0.00 57.88 57.33 1ugq h LEU 54 Cb 0.61 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1ugq h LEU 54 CO 0.02 0.98 0.27 1.23 0.09 0.00 0.00 178.44 181.03 1ugq h GLY 55 N -0.11 0.79 1.45 0.83 0.00 -0.55 -2.11 103.07 103.38 1ugq h GLY 55 Ca -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1ugq h GLY 55 CO 0.07 0.34 0.20 0.00 0.00 0.00 0.00 176.54 177.15 1ugq h ALA 56 N 1.56 1.42 -0.49 3.60 0.00 -1.15 -1.25 119.26 122.95 1ugq h ALA 56 Ca 0.19 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1ugq h ALA 56 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1ugq h ALA 56 CO -0.03 0.44 -0.04 0.87 0.00 0.00 0.00 179.25 180.49 1ugq h LYS 57 N 0.71 0.85 -0.04 0.00 1.57 -1.06 -1.08 116.57 117.51 1ugq h LYS 57 Ca 0.17 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1ugq h LYS 57 Cb 0.13 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1ugq h LYS 57 CO -0.02 0.88 -0.00 0.28 -0.57 0.00 0.00 179.45 180.02 1ugq h VAL 58 N 0.78 1.25 -0.14 0.50 2.07 -1.19 -2.59 116.25 116.93 1ugq h VAL 58 Ca 0.14 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.94 1ugq h VAL 58 Cb 0.53 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 1ugq h VAL 58 CO 0.03 0.21 -0.15 0.58 0.02 0.00 0.00 177.57 178.26 1ugq h VAL 59 N -0.22 0.60 0.00 2.57 2.07 -1.04 -1.43 116.25 118.80 1ugq h VAL 59 Ca 0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1ugq h VAL 59 Cb 0.33 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1ugq h VAL 59 CO 0.00 0.00 -0.18 -0.37 0.02 0.00 0.00 177.57 177.04 1ugq h VAL 60 N -0.18 1.01 -0.27 2.57 -1.51 -1.22 0.57 116.25 117.22 1ugq h VAL 60 Ca 0.10 -0.65 -0.19 0.00 -1.23 0.00 0.00 66.70 64.73 1ugq h VAL 60 Cb 0.32 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1ugq h VAL 60 CO -0.24 0.18 -0.57 0.50 -1.23 0.00 0.00 177.57 176.21 1ugq h LYS 61 N 0.00 0.85 -0.35 5.19 3.64 -1.01 -1.93 116.57 122.97 1ugq h LYS 61 Ca -0.00 -0.56 -0.11 0.00 -1.27 0.00 0.00 60.65 58.71 1ugq h LYS 61 Cb 0.35 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1ugq h LYS 61 CO 0.02 1.19 -0.22 0.00 -2.27 0.00 0.00 179.45 178.17 1ugq h ALA 62 N 0.66 0.95 -0.07 5.00 0.00 -0.61 0.33 119.26 125.51 1ugq h ALA 62 Ca 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 1ugq h ALA 62 Cb 1.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1ugq h ALA 62 CO 0.13 0.61 -0.29 -1.49 0.00 0.00 0.00 179.25 178.21 1ugq h TRP 63 N 0.60 0.15 -0.21 0.00 6.55 -0.77 -3.21 115.95 119.06 1ugq h TRP 63 Ca 0.09 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.90 1ugq h TRP 63 Cb 0.71 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 28.97 1ugq h TRP 63 CO 0.03 0.41 0.00 0.25 -1.05 0.00 0.00 178.44 178.09 1ugq n THR 64 N -4.16 0.57 -3.43 1.49 -2.24 -0.74 -4.85 114.28 100.93 1ugq n THR 64 Ca -0.01 -0.79 -0.23 0.00 -2.27 0.00 0.00 64.05 60.75 1ugq n THR 64 Cb 0.36 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.30 1ugq n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ugq s ASP 65 N -0.98 2.23 0.27 3.42 -1.08 0.11 -5.03 116.67 115.62 1ugq s ASP 65 Ca 0.19 -1.70 0.01 0.00 -0.52 0.00 0.00 52.55 50.53 1ugq s ASP 65 Cb 0.11 0.06 0.62 0.00 -1.46 0.00 0.00 42.92 42.25 1ugq s ASP 65 CO 0.15 -0.32 1.72 -0.65 0.52 0.00 0.00 175.17 176.60 1ugq h PRO 66 N 7.33 0.45 -0.41 4.34 0.11 -1.84 -0.25 132.00 141.74 1ugq h PRO 66 Ca 0.00 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 1ugq h PRO 66 Cb 1.02 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1ugq h PRO 66 CO 0.27 0.30 -0.06 0.93 -0.21 0.00 0.00 178.00 179.23 1ugq h GLU 67 N 0.47 0.76 -0.82 1.05 4.39 -1.95 -1.48 114.58 116.99 1ugq h GLU 67 Ca 0.50 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 1ugq h GLU 67 Cb 0.86 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.42 1ugq h GLU 67 CO -0.46 0.87 0.41 0.35 -1.16 0.00 0.00 179.01 179.03 1ugq h PHE 68 N 0.59 1.17 -0.80 4.33 3.57 -1.64 -1.58 116.94 122.57 1ugq h PHE 68 Ca 0.11 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.60 1ugq h PHE 68 Cb 0.57 -0.37 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 1ugq h PHE 68 CO 0.04 0.84 0.51 -0.22 -2.23 0.00 0.00 178.31 177.25 1ugq h LYS 69 N 1.16 0.94 -0.61 1.11 3.64 -0.79 0.41 116.57 122.44 1ugq h LYS 69 Ca 0.29 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1ugq h LYS 69 Cb 0.09 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 1ugq h LYS 69 CO -0.04 0.62 0.19 0.87 -2.27 0.00 0.00 179.45 178.82 1ugq h LYS 70 N 0.97 0.94 -0.55 1.90 1.57 -0.65 -0.87 116.57 119.88 1ugq h LYS 70 Ca 0.33 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1ugq h LYS 70 Cb 0.05 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1ugq h LYS 70 CO -0.13 0.84 0.04 0.00 -0.57 0.00 0.00 179.45 179.63 1ugq h ARG 71 N 0.87 0.95 -0.64 3.15 3.08 -0.38 -0.54 114.38 120.87 1ugq h ARG 71 Ca 0.20 -0.28 0.01 0.00 0.07 0.00 0.00 59.98 59.97 1ugq h ARG 71 Cb 0.29 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1ugq h ARG 71 CO -0.01 0.94 0.41 1.25 -1.07 0.00 0.00 179.97 181.50 1ugq h LEU 72 N 0.84 0.70 -0.58 3.04 5.85 0.16 0.29 115.31 125.61 1ugq h LEU 72 Ca 0.16 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1ugq h LEU 72 Cb 0.49 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1ugq h LEU 72 CO 0.02 0.50 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.32 1ugq h LEU 73 N 0.83 0.00 0.06 2.25 3.38 -1.00 -2.71 115.31 118.12 1ugq h LEU 73 Ca 0.24 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 1ugq h LEU 73 Cb -0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.71 1ugq h LEU 73 CO -0.07 0.23 -0.47 0.00 0.09 0.00 0.00 178.44 178.22 1ugq h ALA 74 N 1.77 -0.03 -1.89 1.53 0.00 -0.45 -3.44 119.26 116.75 1ugq h ALA 74 Ca -0.00 -0.59 -0.28 0.00 0.00 0.00 0.00 54.91 54.04 1ugq h ALA 74 Cb 0.96 0.05 -0.30 0.00 0.00 0.00 0.00 17.79 18.50 1ugq h ALA 74 CO 0.03 0.22 -0.61 0.34 0.00 0.00 0.00 179.25 179.23 1ugq s ASP 75 N -6.62 0.95 0.17 0.00 -1.08 0.03 -5.04 116.67 105.07 1ugq s ASP 75 Ca -0.15 -0.89 -0.15 0.00 -0.52 0.00 0.00 52.55 50.84 1ugq s ASP 75 Cb 0.00 0.79 0.12 0.00 -1.46 0.00 0.00 42.92 42.36 1ugq s ASP 75 CO 0.78 -0.33 1.73 1.23 0.52 0.00 0.00 175.17 179.10 1ugq h GLY 76 N 7.81 0.50 0.87 2.66 0.00 -1.22 -1.54 103.07 112.15 1ugq h GLY 76 Ca -0.05 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.25 1ugq h GLY 76 CO 0.26 -0.03 -0.08 -0.84 0.00 0.00 0.00 176.54 175.85 1ugq h THR 77 N 0.23 0.81 -0.70 4.70 2.02 -1.86 -1.08 112.91 117.02 1ugq h THR 77 Ca 0.20 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.35 1ugq h THR 77 Cb 0.23 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1ugq h THR 77 CO -0.25 0.00 0.32 -0.33 0.37 0.00 0.00 175.52 175.63 1ugq h GLU 78 N -0.17 1.03 -0.14 6.66 4.39 -1.89 -2.39 114.58 122.06 1ugq h GLU 78 Ca 0.01 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 1ugq h GLU 78 Cb 0.18 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1ugq h GLU 78 CO -0.04 0.83 0.07 0.00 -1.16 0.00 0.00 179.01 178.71 1ugq h ALA 79 N 1.15 0.18 0.00 3.43 0.00 -1.10 -2.60 119.26 120.33 1ugq h ALA 79 Ca 0.24 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1ugq h ALA 79 Cb 0.16 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ugq h ALA 79 CO -0.03 -0.27 -0.10 0.00 0.00 0.00 0.00 179.25 178.85 1ugq h LYS 81 N 0.00 0.00 0.00 0.00 1.57 -1.03 -0.86 116.57 116.25 1ugq h LYS 81 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1ugq h LYS 81 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1ugq h LYS 81 CO 0.01 0.06 -0.07 0.93 -0.57 0.00 0.00 179.45 179.81 1ugq h GLU 82 N 0.00 0.00 -0.46 3.15 5.08 -0.96 -1.05 114.58 120.35 1ugq h GLU 82 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ugq h GLU 82 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ugq h GLU 82 CO 0.01 0.07 0.00 1.28 -1.00 0.00 0.00 179.01 179.37 1ugq n LEU 83 N -3.67 3.65 -0.63 1.33 4.77 -0.44 -4.94 117.00 117.06 1ugq n LEU 83 Ca -0.02 -2.27 -0.08 0.00 -0.03 0.00 0.00 56.01 53.61 1ugq n LEU 83 Cb 0.18 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 1ugq n LEU 83 CO 0.29 0.78 -0.08 0.61 -1.33 0.00 0.00 177.39 177.66 1ugq n GLY 84 N 0.64 0.86 3.51 -0.72 0.00 -0.40 -5.01 105.19 104.08 1ugq n GLY 84 Ca 0.18 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 1ugq n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ugq s ILE 85 N -2.30 4.13 -4.00 -0.61 1.01 -0.52 -4.98 121.20 113.93 1ugq s ILE 85 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.39 1ugq s ILE 85 Cb 0.00 -2.84 0.00 0.00 0.01 0.00 0.00 42.46 39.63 1ugq s ILE 85 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1ugq n GLY 86 N 3.81 -1.99 0.00 6.18 0.00 -1.26 -2.94 105.19 108.99 1ugq n GLY 86 Ca -0.17 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1ugq n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ugq n GLY 87 N -0.41 0.47 3.67 -0.02 0.00 -1.26 -4.80 105.19 102.84 1ugq n GLY 87 Ca 0.00 -2.09 -0.58 0.00 0.00 0.00 0.00 46.02 43.35 1ugq n GLY 87 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ugq n LEU 88 N 0.00 1.84 -1.22 0.99 7.94 -1.26 -0.96 117.00 124.32 1ugq n LEU 88 Ca 0.00 1.11 -0.16 0.00 -1.11 0.00 0.00 56.01 55.85 1ugq n LEU 88 Cb 0.00 -1.10 -0.07 0.00 0.53 0.00 0.00 43.42 42.78 1ugq n LEU 88 CO 0.00 -0.77 -0.15 0.00 -1.11 0.00 0.00 177.39 175.36 1ugq n GLN 89 N 4.12 -1.17 -0.75 1.96 1.13 -1.26 -3.94 117.38 117.47 1ugq n GLN 89 Ca 0.24 1.06 0.01 0.00 -1.94 0.00 0.00 57.00 56.37 1ugq n GLN 89 Cb 0.12 -5.26 0.00 0.00 0.11 0.00 0.00 30.24 25.21 1ugq n GLN 89 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ugq n GLY 90 N -0.90 0.69 0.26 1.08 0.00 -0.14 -3.67 105.19 102.51 1ugq n GLY 90 Ca -0.16 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.70 1ugq n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ugq h GLU 91 N 0.23 0.30 -3.92 1.61 3.07 -1.76 -3.38 114.58 110.72 1ugq h GLU 91 Ca -0.08 -0.04 -0.57 0.00 -0.50 0.00 0.00 59.36 58.16 1ugq h GLU 91 Cb 1.46 -0.05 -0.39 0.00 -0.84 0.00 0.00 28.75 28.92 1ugq h GLU 91 CO 0.01 0.32 -0.77 -0.51 -1.40 0.00 0.00 179.01 176.66 1ugq s ASP 92 N -6.85 3.59 -0.04 1.42 1.01 -1.26 -4.83 116.67 109.71 1ugq s ASP 92 Ca -0.06 -1.18 0.06 0.00 0.71 0.00 0.00 52.55 52.08 1ugq s ASP 92 Cb 0.16 -0.93 -0.01 0.00 1.01 0.00 0.00 42.92 43.15 1ugq s ASP 92 CO 0.72 -0.30 -0.24 -0.04 0.21 0.00 0.00 175.17 175.52 1ugq s MET 93 N 1.58 2.32 -0.18 8.23 -1.94 -1.26 0.10 119.30 128.16 1ugq s MET 93 Ca -0.00 -0.88 0.00 0.00 -1.71 0.00 0.00 55.69 53.10 1ugq s MET 93 Cb -0.18 -2.04 0.04 0.00 2.01 0.00 0.00 34.83 34.66 1ugq s MET 93 CO -0.11 0.42 -0.09 1.41 -0.01 0.00 0.00 175.02 176.64 1ugq s MET 94 N -0.28 1.88 0.04 2.03 1.75 0.80 -2.61 119.30 122.92 1ugq s MET 94 Ca 0.00 -0.68 -0.15 0.00 -1.25 0.00 0.00 55.69 53.62 1ugq s MET 94 Cb -0.12 -2.21 -0.06 0.00 2.84 0.00 0.00 34.83 35.28 1ugq s MET 94 CO 0.02 -0.39 0.45 -1.58 -0.65 0.00 0.00 175.02 172.87 1ugq s TRP 95 N 1.49 3.70 -0.08 4.11 0.52 -1.26 -1.94 118.94 125.48 1ugq s TRP 95 Ca 0.01 1.01 0.03 0.00 0.02 0.00 0.00 56.10 57.17 1ugq s TRP 95 Cb -0.15 -2.31 0.01 0.00 -1.15 0.00 0.00 33.47 29.86 1ugq s TRP 95 CO -0.08 0.59 -0.19 0.14 0.02 0.00 0.00 176.95 177.43 1ugq s VAL 96 N -1.18 1.65 -0.16 4.03 -7.23 0.13 -4.76 120.40 112.88 1ugq s VAL 96 Ca 0.28 -0.78 -0.19 0.00 -1.81 0.00 0.00 61.98 59.48 1ugq s VAL 96 Cb -0.16 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.29 1ugq s VAL 96 CO 0.16 0.47 0.51 -0.70 -0.31 0.00 0.00 175.10 175.23 1ugq s GLU 97 N 0.48 4.27 0.40 4.82 2.12 -1.26 -0.54 118.70 128.99 1ugq s GLU 97 Ca -0.17 0.46 -0.24 0.00 0.36 0.00 0.00 54.97 55.38 1ugq s GLU 97 Cb -0.17 -3.50 -0.09 0.00 0.26 0.00 0.00 34.13 30.63 1ugq s GLU 97 CO 0.07 -0.00 1.06 -0.80 -0.54 0.00 0.00 175.26 175.05 1ugq s ASN 98 N 0.89 6.72 0.13 -1.70 0.01 -0.39 -4.89 114.94 115.71 1ugq s ASN 98 Ca 0.26 2.07 0.03 0.00 -0.71 0.00 0.00 52.86 54.51 1ugq s ASN 98 Cb -0.15 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 38.91 1ugq s ASN 98 CO 0.10 -0.52 0.11 0.35 -1.51 0.00 0.00 177.10 175.64 1ugq n THR 99 N -0.06 0.00 0.27 1.60 -2.24 -0.12 -4.43 114.28 109.30 1ugq n THR 99 Ca 0.05 -0.96 0.15 0.00 -2.27 0.00 0.00 64.05 61.01 1ugq n THR 99 Cb 0.49 0.48 0.43 0.00 -2.10 0.00 0.00 70.33 69.64 1ugq n THR 99 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ugq h ASP 100 N 0.81 0.00 0.10 3.42 3.32 -2.03 -3.20 116.42 118.84 1ugq h ASP 100 Ca -0.09 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 1ugq h ASP 100 Cb 0.47 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1ugq h ASP 100 CO 0.14 0.00 -1.95 -0.62 -1.72 0.00 0.00 179.24 175.09 1ugq n GLU 101 N -3.03 0.66 -4.08 3.56 4.71 -1.26 -4.95 120.64 116.25 1ugq n GLU 101 Ca 0.02 -0.14 -0.14 0.00 -0.01 0.00 0.00 57.16 56.90 1ugq n GLU 101 Cb 0.41 -1.55 -0.13 0.00 -1.01 0.00 0.00 31.44 29.15 1ugq n GLU 101 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1ugq s VAL 102 N -3.36 0.38 -0.05 2.62 1.01 -1.21 -2.88 120.40 116.91 1ugq s VAL 102 Ca -0.07 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.42 1ugq s VAL 102 Cb 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 36.12 1ugq s VAL 102 CO 0.89 -0.10 -0.16 -2.28 0.00 0.00 0.00 175.10 173.44 1ugq s HIS 103 N -0.61 1.67 0.02 5.22 2.46 -0.45 -0.94 115.29 122.66 1ugq s HIS 103 Ca -0.03 -0.52 0.03 0.00 0.47 0.00 0.00 55.06 55.00 1ugq s HIS 103 Cb -0.05 -1.14 -0.04 0.00 -0.13 0.00 0.00 32.58 31.22 1ugq s HIS 103 CO -0.00 -0.20 -0.01 -1.01 -2.47 0.00 0.00 174.74 171.05 1ugq s HIS 104 N 0.20 3.02 -0.08 3.88 3.76 -1.26 -0.51 115.29 124.30 1ugq s HIS 104 Ca -0.07 0.03 -0.06 0.00 -0.15 0.00 0.00 55.06 54.82 1ugq s HIS 104 Cb -0.13 -1.62 0.03 0.00 1.11 0.00 0.00 32.58 31.97 1ugq s HIS 104 CO 0.03 0.45 0.21 0.54 -0.85 0.00 0.00 174.74 175.12 1ugq s VAL 105 N -1.14 -0.02 0.06 -0.90 0.11 -0.79 -4.27 120.40 113.46 1ugq s VAL 105 Ca 0.21 0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.37 1ugq s VAL 105 Cb -0.11 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 1ugq s VAL 105 CO 0.12 0.03 0.01 -0.69 -3.33 0.00 0.00 175.10 171.24 1ugq s VAL 106 N 0.66 4.12 0.14 2.04 1.01 0.99 -0.56 120.40 128.80 1ugq s VAL 106 Ca -0.05 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 60.91 1ugq s VAL 106 Cb -0.06 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.44 1ugq s VAL 106 CO -0.04 0.21 0.48 0.54 0.00 0.00 0.00 175.10 176.29 1ugq s VAL 107 N -1.24 0.04 -0.54 2.92 0.11 -0.37 -4.93 120.40 116.39 1ugq s VAL 107 Ca 0.24 -0.40 0.04 0.00 -2.93 0.00 0.00 61.98 58.93 1ugq s VAL 107 Cb -0.12 -1.15 0.16 0.00 -1.53 0.00 0.00 36.38 33.75 1ugq s VAL 107 CO 0.16 -0.19 0.39 0.00 -3.33 0.00 0.00 175.10 172.13 1ugq h THR 109 N 4.61 1.01 0.00 0.00 1.35 -1.86 -2.77 112.91 115.25 1ugq h THR 109 Ca 0.18 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 1ugq h THR 109 Cb 0.85 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1ugq h THR 109 CO 0.53 0.06 -0.01 0.18 -0.25 0.00 0.00 175.52 176.03 1ugq n LEU 110 N -4.49 0.57 0.00 3.87 4.77 -1.26 -4.93 117.00 115.54 1ugq n LEU 110 Ca 0.03 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1ugq n LEU 110 Cb 0.16 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1ugq n LEU 110 CO 0.35 -0.12 0.00 0.00 -1.33 0.00 0.00 177.39 176.28 1ugq n SER 112 N 0.00 -0.05 -4.66 0.00 3.41 -1.25 -4.86 113.62 106.20 1ugq n SER 112 Ca 0.00 -0.46 -0.42 0.00 -0.26 0.00 0.00 58.87 57.73 1ugq n SER 112 Cb 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1ugq n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ugq s TYR 114 N -1.16 -0.64 -1.24 0.00 5.04 -1.26 -4.54 117.35 113.54 1ugq s TYR 114 Ca 0.59 1.20 -0.20 0.00 -2.44 0.00 0.00 57.07 56.22 1ugq s TYR 114 Cb -0.57 0.36 0.01 0.00 0.35 0.00 0.00 41.96 42.11 1ugq s TYR 114 CO 0.59 -0.54 1.80 -1.25 -1.34 0.00 0.00 175.55 174.81 1ugq s PRO 115 N -0.90 3.39 0.24 4.97 0.04 -1.26 -4.80 135.00 136.68 1ugq s PRO 115 Ca -0.09 -1.62 -0.05 0.00 0.04 0.00 0.00 61.00 59.28 1ugq s PRO 115 Cb -0.01 -5.41 0.44 0.00 0.04 0.00 0.00 34.50 29.55 1ugq s PRO 115 CO 0.08 -2.92 1.70 -1.49 0.04 0.00 0.00 177.00 174.41 1ugq h TRP 116 N 8.54 0.35 -0.44 0.56 6.55 -1.71 -1.22 115.95 128.58 1ugq h TRP 116 Ca 0.35 0.04 0.13 0.00 0.95 0.00 0.00 58.89 60.35 1ugq h TRP 116 Cb 0.90 -0.05 -0.02 0.00 -0.86 0.00 0.00 29.16 29.14 1ugq h TRP 116 CO 1.34 -0.03 0.33 -1.35 -1.05 0.00 0.00 178.44 177.68 1ugq h PRO 117 N 0.33 0.00 0.00 0.49 0.11 -1.83 0.67 132.00 131.77 1ugq h PRO 117 Ca 0.40 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.45 1ugq h PRO 117 Cb 0.65 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 1ugq h PRO 117 CO -0.46 0.00 -1.64 1.33 -0.21 0.00 0.00 178.00 177.03 1ugq n VAL 118 N -4.36 0.24 0.09 3.15 0.24 -1.02 -4.60 118.33 112.07 1ugq n VAL 118 Ca 0.08 -0.35 0.01 0.00 -2.04 0.00 0.00 64.34 62.04 1ugq n VAL 118 Cb 0.53 -0.06 -0.01 0.00 -1.47 0.00 0.00 33.84 32.83 1ugq n VAL 118 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ugq n LEU 119 N -2.08 0.14 0.00 1.34 4.77 -0.49 -0.67 117.00 120.00 1ugq n LEU 119 Ca -0.07 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 1ugq n LEU 119 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1ugq n LEU 119 CO 0.26 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1ugq n GLY 120 N 1.00 -1.64 3.76 -0.72 0.00 0.23 -2.98 105.19 104.85 1ugq n GLY 120 Ca 0.00 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 1ugq n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ugq s LEU 121 N 0.00 4.51 0.54 0.99 1.43 -1.26 -4.09 118.68 120.80 1ugq s LEU 121 Ca 0.00 2.33 -0.20 0.00 -1.03 0.00 0.00 54.13 55.23 1ugq s LEU 121 Cb 0.00 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.51 1ugq s LEU 121 CO 0.00 -0.23 1.20 -2.16 0.23 0.00 0.00 176.35 175.39 1ugq s PRO 122 N -1.55 3.27 0.72 1.29 0.04 -1.26 -5.01 135.00 132.49 1ugq s PRO 122 Ca 0.46 1.81 -0.13 0.00 0.04 0.00 0.00 61.00 63.18 1ugq s PRO 122 Cb -0.33 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.14 1ugq s PRO 122 CO 0.43 -0.96 1.10 -1.25 0.04 0.00 0.00 177.00 176.36 1ugq s PRO 123 N -3.12 2.50 0.34 0.56 0.04 -1.26 -4.93 135.00 129.13 1ugq s PRO 123 Ca 0.72 1.30 0.04 0.00 0.04 0.00 0.00 61.00 63.10 1ugq s PRO 123 Cb -0.29 -1.92 0.67 0.00 0.04 0.00 0.00 34.50 33.00 1ugq s PRO 123 CO 0.34 -1.47 1.94 -0.91 0.04 0.00 0.00 177.00 176.93 1ugq h ASN 124 N -0.56 0.75 -0.09 6.66 2.35 -2.00 -2.52 115.58 120.16 1ugq h ASN 124 Ca -0.45 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.29 1ugq h ASN 124 Cb 1.24 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 1ugq h ASN 124 CO 0.52 0.48 0.03 4.11 -1.65 0.00 0.00 177.43 180.93 1ugq h TRP 125 N 0.85 0.18 -0.08 1.19 5.08 -1.95 -1.51 115.95 119.71 1ugq h TRP 125 Ca 0.34 -0.00 -0.10 0.00 1.08 0.00 0.00 58.89 60.21 1ugq h TRP 125 Cb 0.25 -0.06 -0.01 0.00 -3.00 0.00 0.00 29.16 26.34 1ugq h TRP 125 CO -0.00 0.16 -0.40 0.35 -1.28 0.00 0.00 178.44 177.28 1ugq h PHE 126 N 0.19 0.19 0.00 0.12 3.57 -1.82 -2.98 116.94 116.21 1ugq h PHE 126 Ca 0.05 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1ugq h PHE 126 Cb 0.07 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1ugq h PHE 126 CO 0.00 0.54 -0.53 0.87 -2.23 0.00 0.00 178.31 176.96 1ugq h LYS 127 N 0.14 0.00 -7.20 1.11 1.57 -1.35 -3.43 116.57 107.41 1ugq h LYS 127 Ca 0.01 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.31 1ugq h LYS 127 Cb 0.77 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.11 1ugq h LYS 127 CO 0.06 0.00 0.35 -1.21 -0.57 0.00 0.00 179.45 178.08 1ugq s GLU 128 N -3.19 3.79 0.32 3.15 2.02 -0.77 -4.82 118.70 119.20 1ugq s GLU 128 Ca 0.06 0.80 0.05 0.00 0.02 0.00 0.00 54.97 55.90 1ugq s GLU 128 Cb 0.12 -2.16 0.69 0.00 0.10 0.00 0.00 34.13 32.88 1ugq s GLU 128 CO 0.71 -0.34 1.85 -1.35 0.02 0.00 0.00 175.26 176.14 1ugq h PRO 129 N 0.50 0.82 0.62 0.39 0.11 -1.92 -3.05 132.00 129.47 1ugq h PRO 129 Ca -0.46 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1ugq h PRO 129 Cb 1.19 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1ugq h PRO 129 CO 0.62 0.54 -0.37 1.96 -0.21 0.00 0.00 178.00 180.54 1ugq h GLN 130 N 0.84 -0.90 -0.14 1.05 7.50 -1.94 -0.73 115.11 120.79 1ugq h GLN 130 Ca 0.48 0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.68 1ugq h GLN 130 Cb 0.62 0.20 -0.01 0.00 0.05 0.00 0.00 27.48 28.34 1ugq h GLN 130 CO -0.24 -0.60 0.06 -0.92 -1.50 0.00 0.00 178.83 175.63 1ugq h TYR 131 N -0.93 0.21 -0.84 2.96 3.20 -1.76 -2.83 116.97 116.98 1ugq h TYR 131 Ca -0.08 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.82 1ugq h TYR 131 Cb 0.75 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.90 1ugq h TYR 131 CO -0.09 0.28 0.53 0.00 -1.64 0.00 0.00 178.16 177.25 1ugq h ARG 132 N 0.08 0.98 -0.13 1.82 3.08 -1.53 -1.56 114.38 117.13 1ugq h ARG 132 Ca 0.05 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1ugq h ARG 132 Cb 0.16 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1ugq h ARG 132 CO -0.00 0.65 -0.20 0.66 -1.07 0.00 0.00 179.97 180.01 1ugq h SER 133 N 1.01 0.40 0.66 7.04 4.64 -1.14 -3.37 113.55 122.79 1ugq h SER 133 Ca 0.35 -0.53 -0.26 0.00 -0.47 0.00 0.00 61.79 60.88 1ugq h SER 133 Cb 0.07 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1ugq h SER 133 CO -0.14 0.85 -1.19 -0.09 -0.87 0.00 0.00 176.83 175.39 1ugq h ARG 134 N -0.04 0.25 -0.41 4.77 2.43 -1.43 -3.38 114.38 116.56 1ugq h ARG 134 Ca 0.01 -0.41 0.03 0.00 -0.81 0.00 0.00 59.98 58.81 1ugq h ARG 134 Cb 0.76 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 1ugq h ARG 134 CO 0.05 1.18 0.28 -0.24 -1.51 0.00 0.00 179.97 179.73 1ugq h VAL 135 N 0.08 1.03 0.00 0.20 3.04 -1.45 0.19 116.25 119.33 1ugq h VAL 135 Ca -0.12 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 1ugq h VAL 135 Cb 1.92 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.75 1ugq h VAL 135 CO 0.19 0.08 -0.08 -0.37 -1.01 0.00 0.00 177.57 176.39 1ugq h VAL 136 N 0.44 0.00 0.00 1.51 -1.51 -1.77 -3.03 116.25 111.88 1ugq h VAL 136 Ca 0.17 -0.52 -0.35 0.00 -1.23 0.00 0.00 66.70 64.76 1ugq h VAL 136 Cb 0.13 1.47 -0.06 0.00 -2.13 0.00 0.00 31.29 30.70 1ugq h VAL 136 CO -0.04 0.00 -2.34 -1.14 -1.23 0.00 0.00 177.57 172.82 1ugq n ARG 137 N -2.32 0.64 -3.14 5.19 0.63 -0.54 -4.76 116.66 112.37 1ugq n ARG 137 Ca 0.05 0.12 -0.18 0.00 -0.92 0.00 0.00 57.85 56.92 1ugq n ARG 137 Cb 0.44 -1.47 -0.03 0.00 0.45 0.00 0.00 32.46 31.85 1ugq n ARG 137 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1ugq n GLU 138 N -3.13 1.12 -0.30 -0.14 1.02 0.55 -4.98 120.64 114.78 1ugq n GLU 138 Ca -0.40 -3.46 0.00 0.00 -0.02 0.00 0.00 57.16 53.28 1ugq n GLU 138 Cb 0.97 -1.71 0.14 0.00 -0.02 0.00 0.00 31.44 30.81 1ugq n GLU 138 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1ugq h PRO 139 N 3.00 0.92 -0.12 3.49 0.13 -1.66 -1.17 132.00 136.58 1ugq h PRO 139 Ca 0.09 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 1ugq h PRO 139 Cb 0.96 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1ugq h PRO 139 CO 0.52 0.61 0.04 -0.09 -0.23 0.00 0.00 178.00 178.85 1ugq h ARG 140 N 0.95 0.18 -0.52 0.86 2.43 -1.94 -1.73 114.38 114.61 1ugq h ARG 140 Ca 0.37 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.41 1ugq h ARG 140 Cb 0.17 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1ugq h ARG 140 CO -0.17 0.31 -0.04 1.96 -1.51 0.00 0.00 179.97 180.52 1ugq h GLN 141 N 0.02 0.92 -0.39 0.20 7.50 -1.92 -2.63 115.11 118.80 1ugq h GLN 141 Ca 0.04 -0.29 -0.02 0.00 0.50 0.00 0.00 58.65 58.88 1ugq h GLN 141 Cb 0.20 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.63 1ugq h GLN 141 CO -0.00 0.94 0.17 1.25 -1.50 0.00 0.00 178.83 179.68 1ugq h LEU 142 N 0.84 0.53 -1.14 1.46 6.46 -1.11 0.44 115.31 122.79 1ugq h LEU 142 Ca 0.15 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1ugq h LEU 142 Cb 0.56 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 1ugq h LEU 142 CO 0.03 0.54 0.39 -0.07 -0.62 0.00 0.00 178.44 178.71 1ugq h LEU 143 N 0.48 0.88 0.10 2.25 3.38 -1.22 0.67 115.31 121.84 1ugq h LEU 143 Ca 0.13 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ugq h LEU 143 Cb 0.17 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1ugq h LEU 143 CO -0.01 0.71 -0.05 0.50 0.09 0.00 0.00 178.44 179.68 1ugq h LYS 144 N 0.99 -0.12 -0.37 1.13 3.64 -1.08 0.49 116.57 121.24 1ugq h LYS 144 Ca 0.25 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1ugq h LYS 144 Cb 0.02 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1ugq h LYS 144 CO -0.04 0.40 0.05 0.93 -2.27 0.00 0.00 179.45 178.52 1ugq h GLU 145 N -0.83 0.62 0.14 1.90 5.08 -0.87 -1.24 114.58 119.38 1ugq h GLU 145 Ca -0.01 -0.17 -0.35 0.00 -1.00 0.00 0.00 59.36 57.83 1ugq h GLU 145 Cb 0.58 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1ugq h GLU 145 CO 0.02 0.69 -1.84 1.49 -1.00 0.00 0.00 179.01 178.38 1ugq h GLU 146 N 0.46 0.29 -0.17 2.33 4.57 -1.02 -3.40 114.58 117.64 1ugq h GLU 146 Ca 0.11 -0.50 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1ugq h GLU 146 Cb 0.38 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1ugq h GLU 146 CO 0.01 1.19 0.00 1.19 -1.18 0.00 0.00 179.01 180.21 1ugq n PHE 147 N -3.48 0.22 -2.06 0.92 3.01 -0.88 -4.97 117.46 110.21 1ugq n PHE 147 Ca -0.26 -0.29 -0.21 0.00 1.01 0.00 0.00 57.45 57.70 1ugq n PHE 147 Cb 1.06 -0.02 -0.04 0.00 -0.01 0.00 0.00 39.48 40.47 1ugq n PHE 147 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ugq n GLY 148 N 0.42 0.55 3.25 1.37 0.00 -0.47 -4.94 105.19 105.38 1ugq n GLY 148 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1ugq n GLY 148 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ugq s PHE 149 N -2.92 3.35 -0.36 1.61 5.36 0.11 -4.92 117.98 120.21 1ugq s PHE 149 Ca 0.00 -1.62 -0.19 0.00 -0.96 0.00 0.00 56.93 54.16 1ugq s PHE 149 Cb 0.00 -2.91 0.00 0.00 -0.34 0.00 0.00 43.02 39.77 1ugq s PHE 149 CO 0.00 -0.85 0.57 -2.00 -1.46 0.00 0.00 175.22 171.48 1ugq s GLU 150 N 1.39 3.62 -0.34 10.12 2.12 -1.26 -2.34 118.70 132.01 1ugq s GLU 150 Ca 0.03 -0.09 -0.11 0.00 0.36 0.00 0.00 54.97 55.16 1ugq s GLU 150 Cb -0.23 -3.82 -0.00 0.00 0.26 0.00 0.00 34.13 30.34 1ugq s GLU 150 CO 0.01 -0.71 0.20 0.08 -0.54 0.00 0.00 175.26 174.31 1ugq s VAL 151 N 2.55 4.83 0.14 3.70 1.01 -1.26 -5.06 120.40 126.32 1ugq s VAL 151 Ca 0.21 -0.47 -0.33 0.00 0.00 0.00 0.00 61.98 61.39 1ugq s VAL 151 Cb -0.15 -3.53 -0.17 0.00 0.00 0.00 0.00 36.38 32.53 1ugq s VAL 151 CO 0.14 -0.04 0.98 -2.65 0.00 0.00 0.00 175.10 173.53 1ugq n PRO 152 N 5.03 0.60 -0.29 2.72 -0.02 -1.26 -4.84 135.00 136.94 1ugq n PRO 152 Ca -0.13 0.21 0.23 0.00 -2.02 0.00 0.00 63.50 61.80 1ugq n PRO 152 Cb 0.48 -1.59 0.54 0.00 -0.02 0.00 0.00 33.50 32.92 1ugq n PRO 152 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1ugq h PRO 153 N 2.64 0.33 0.00 0.52 0.11 -2.03 0.21 132.00 133.79 1ugq h PRO 153 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1ugq h PRO 153 Cb 1.39 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1ugq h PRO 153 CO 0.65 0.22 0.00 0.66 -0.21 0.00 0.00 178.00 179.32 1ugq h SER 154 N 0.34 0.00 -3.39 -2.05 4.64 -2.01 -3.43 113.55 107.65 1ugq h SER 154 Ca 0.55 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 61.28 1ugq h SER 154 Cb 1.49 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.49 1ugq h SER 154 CO -0.22 0.00 0.18 -0.75 -0.87 0.00 0.00 176.83 175.17 1ugq s LYS 155 N -3.39 4.23 0.22 4.77 2.20 0.74 -5.03 119.74 123.48 1ugq s LYS 155 Ca 0.05 0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 56.07 1ugq s LYS 155 Cb 0.08 -3.58 -0.09 0.00 -1.51 0.00 0.00 37.83 32.74 1ugq s LYS 155 CO 0.56 -0.26 1.30 -2.00 -0.36 0.00 0.00 175.35 174.59 1ugq s GLU 156 N 1.97 4.40 -0.25 4.03 2.12 -1.14 -4.81 118.70 125.02 1ugq s GLU 156 Ca 0.31 2.07 -0.05 0.00 0.36 0.00 0.00 54.97 57.66 1ugq s GLU 156 Cb -0.16 -3.17 -0.01 0.00 0.26 0.00 0.00 34.13 31.05 1ugq s GLU 156 CO 0.11 -0.22 0.01 0.42 -0.54 0.00 0.00 175.26 175.04 1ugq s ILE 157 N -0.15 3.65 -0.31 -3.70 1.01 -1.26 -1.34 121.20 119.10 1ugq s ILE 157 Ca 0.55 -0.53 -0.10 0.00 0.00 0.00 0.00 60.65 60.57 1ugq s ILE 157 Cb -0.37 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 1ugq s ILE 157 CO 0.41 0.30 0.17 -0.54 0.00 0.00 0.00 174.94 175.28 1ugq s LYS 158 N 1.50 3.51 -0.23 2.79 1.02 0.34 -4.98 119.74 123.68 1ugq s LYS 158 Ca 0.05 -0.61 -0.13 0.00 0.02 0.00 0.00 55.97 55.30 1ugq s LYS 158 Cb -0.15 -3.62 -0.05 0.00 -0.52 0.00 0.00 37.83 33.49 1ugq s LYS 158 CO -0.01 -0.36 0.25 0.08 -0.92 0.00 0.00 175.35 174.39 1ugq s VAL 159 N 1.66 5.30 -0.39 3.17 1.01 -1.26 -1.88 120.40 128.01 1ugq s VAL 159 Ca 0.06 0.38 -0.12 0.00 0.00 0.00 0.00 61.98 62.30 1ugq s VAL 159 Cb -0.17 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1ugq s VAL 159 CO 0.08 0.31 0.24 0.26 0.00 0.00 0.00 175.10 175.98 1ugq s TRP 160 N 1.18 3.25 -0.48 5.22 0.52 0.28 -4.98 118.94 123.93 1ugq s TRP 160 Ca 0.12 -0.95 -0.18 0.00 0.02 0.00 0.00 56.10 55.11 1ugq s TRP 160 Cb -0.14 -2.53 0.05 0.00 -1.15 0.00 0.00 33.47 29.69 1ugq s TRP 160 CO 0.06 -0.66 0.55 0.34 0.02 0.00 0.00 176.95 177.26 1ugq s ASP 161 N 1.66 6.22 -1.07 2.95 -1.08 -1.26 -1.23 116.67 122.86 1ugq s ASP 161 Ca 0.03 -0.86 -0.22 0.00 -0.52 0.00 0.00 52.55 50.97 1ugq s ASP 161 Cb -0.20 -2.26 0.05 0.00 -1.46 0.00 0.00 42.92 39.05 1ugq s ASP 161 CO 0.07 -0.78 1.50 -0.94 0.52 0.00 0.00 175.17 175.54 1ugq s SER 162 N 2.42 6.55 0.03 -0.34 1.04 -0.17 -4.74 113.70 118.48 1ugq s SER 162 Ca 0.14 -1.62 0.25 0.00 0.48 0.00 0.00 55.95 55.20 1ugq s SER 162 Cb -0.19 -2.57 0.44 0.00 0.10 0.00 0.00 66.02 63.80 1ugq s SER 162 CO 0.12 -1.46 1.37 -1.54 0.98 0.00 0.00 173.24 172.71 1ugq n SER 163 N 8.82 0.55 -0.98 7.02 3.41 -1.26 -4.77 113.62 126.41 1ugq n SER 163 Ca 0.36 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1ugq n SER 163 Cb 0.50 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 1ugq n SER 163 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ugq n SER 164 N -1.66 1.45 -0.15 4.04 3.41 -1.26 -5.01 113.62 114.44 1ugq n SER 164 Ca 0.05 -0.49 0.14 0.00 -0.26 0.00 0.00 58.87 58.31 1ugq n SER 164 Cb 0.36 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 64.92 1ugq n SER 164 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ugq n GLU 165 N -0.13 0.81 -2.26 4.33 -0.58 -1.26 -4.79 120.64 116.75 1ugq n GLU 165 Ca 0.00 -0.30 -0.42 0.00 -0.42 0.00 0.00 57.16 56.02 1ugq n GLU 165 Cb 0.00 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.35 1ugq n GLU 165 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1ugq s MET 166 N -2.40 4.34 -0.17 3.49 1.75 -1.26 -4.35 119.30 120.70 1ugq s MET 166 Ca 0.31 1.95 -0.06 0.00 -1.25 0.00 0.00 55.69 56.63 1ugq s MET 166 Cb 0.20 -3.38 -0.04 0.00 2.84 0.00 0.00 34.83 34.46 1ugq s MET 166 CO 0.46 -0.43 0.04 1.03 -0.65 0.00 0.00 175.02 175.47 1ugq s ARG 167 N 1.49 3.83 -0.17 4.11 1.81 0.28 -4.80 118.95 125.50 1ugq s ARG 167 Ca 0.62 -0.38 -0.08 0.00 -1.72 0.00 0.00 55.73 54.17 1ugq s ARG 167 Cb -0.33 -3.12 -0.04 0.00 -0.45 0.00 0.00 34.95 31.01 1ugq s ARG 167 CO 0.29 0.32 0.12 -0.06 -0.68 0.00 0.00 175.30 175.28 1ugq s PHE 168 N 0.22 3.44 -0.03 -0.53 0.40 -1.26 -0.14 117.98 120.08 1ugq s PHE 168 Ca 0.03 0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.74 1ugq s PHE 168 Cb -0.13 -2.06 0.00 0.00 0.51 0.00 0.00 43.02 41.35 1ugq s PHE 168 CO 0.01 0.42 -0.11 0.08 0.70 0.00 0.00 175.22 176.32 1ugq s VAL 169 N -0.15 0.96 -0.08 -0.44 1.01 -0.82 -4.84 120.40 116.05 1ugq s VAL 169 Ca 0.10 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 1ugq s VAL 169 Cb -0.12 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1ugq s VAL 169 CO 0.00 0.29 0.55 -0.69 0.00 0.00 0.00 175.10 175.26 1ugq s VAL 170 N 0.13 5.09 -0.52 2.92 1.01 -0.64 -0.70 120.40 127.70 1ugq s VAL 170 Ca -0.03 1.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.91 1ugq s VAL 170 Cb -0.09 -3.89 0.10 0.00 0.00 0.00 0.00 36.38 32.50 1ugq s VAL 170 CO 0.01 0.34 0.49 -0.22 0.00 0.00 0.00 175.10 175.71 1ugq s LEU 171 N 0.43 5.83 0.67 3.92 2.96 0.30 -4.36 118.68 128.42 1ugq s LEU 171 Ca 0.30 -1.53 -0.15 0.00 -0.22 0.00 0.00 54.13 52.53 1ugq s LEU 171 Cb -0.16 -2.22 0.01 0.00 0.50 0.00 0.00 46.19 44.31 1ugq s LEU 171 CO 0.14 -0.81 1.11 -2.16 -1.32 0.00 0.00 176.35 173.31 1ugq s PRO 172 N 1.78 2.74 0.46 0.98 0.04 -1.26 -1.27 135.00 138.47 1ugq s PRO 172 Ca 0.05 1.39 -0.23 0.00 0.04 0.00 0.00 61.00 62.25 1ugq s PRO 172 Cb -0.27 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 1ugq s PRO 172 CO 0.05 -1.30 1.18 -0.65 0.04 0.00 0.00 177.00 176.33 1ugq s GLN 173 N -4.14 3.71 0.03 4.56 -0.21 -1.26 -4.81 119.66 117.54 1ugq s GLN 173 Ca 0.67 1.82 -0.30 0.00 0.02 0.00 0.00 55.36 57.57 1ugq s GLN 173 Cb -0.21 -2.41 -0.06 0.00 1.00 0.00 0.00 33.01 31.34 1ugq s GLN 173 CO 0.43 -0.60 1.34 0.50 -2.12 0.00 0.00 175.29 174.84 1ugq s ARG 174 N -2.70 4.32 0.48 2.91 3.52 -1.26 -4.56 118.95 121.67 1ugq s ARG 174 Ca 0.64 1.93 -0.24 0.00 -0.13 0.00 0.00 55.73 57.93 1ugq s ARG 174 Cb -0.30 -3.46 -0.07 0.00 -1.56 0.00 0.00 34.95 29.57 1ugq s ARG 174 CO 0.36 -0.47 1.38 -2.14 -0.81 0.00 0.00 175.30 173.62 1ugq s PRO 175 N 1.84 3.52 0.85 5.12 0.02 -1.26 -4.98 135.00 140.11 1ugq s PRO 175 Ca 0.62 2.30 -0.10 0.00 0.02 0.00 0.00 61.00 63.84 1ugq s PRO 175 Cb -0.32 -2.51 0.10 0.00 0.02 0.00 0.00 34.50 31.79 1ugq s PRO 175 CO 0.27 -0.91 1.11 0.00 -0.33 0.00 0.00 177.00 177.15 1ugq s ALA 176 N -1.26 1.84 -0.57 -1.55 0.00 -1.26 -3.73 121.76 115.22 1ugq s ALA 176 Ca 0.64 0.39 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1ugq s ALA 176 Cb -0.41 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1ugq s ALA 176 CO 0.52 -2.26 0.00 0.41 0.00 0.00 0.00 175.76 174.42 1ugq n GLY 177 N -0.56 0.30 0.29 0.00 0.00 -1.26 -4.45 105.19 99.52 1ugq n GLY 177 Ca 0.10 -0.66 0.06 0.00 0.00 0.00 0.00 46.02 45.53 1ugq n GLY 177 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ugq n THR 178 N -3.70 1.28 -1.70 2.61 -2.24 -1.24 -4.99 114.28 104.29 1ugq n THR 178 Ca -0.07 -1.62 -0.44 0.00 -2.27 0.00 0.00 64.05 59.65 1ugq n THR 178 Cb 0.47 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 1ugq n THR 178 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ugq n ASP 179 N -0.91 3.67 0.00 3.42 8.00 -1.26 -1.97 116.55 127.49 1ugq n ASP 179 Ca 0.11 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.68 1ugq n ASP 179 Cb 0.68 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 1ugq n ASP 179 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ugq n GLY 180 N 3.75 0.66 3.73 0.44 0.00 -1.26 -5.00 105.19 107.52 1ugq n GLY 180 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1ugq n GLY 180 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ugq s TRP 181 N -2.92 2.16 0.71 1.61 0.52 -0.83 -4.99 118.94 115.19 1ugq s TRP 181 Ca 0.00 1.53 -0.11 0.00 0.02 0.00 0.00 56.10 57.54 1ugq s TRP 181 Cb 0.00 -3.56 0.02 0.00 -1.15 0.00 0.00 33.47 28.77 1ugq s TRP 181 CO 0.00 -2.63 1.07 -1.54 0.02 0.00 0.00 176.95 173.88 1ugq s SER 182 N -1.66 5.35 0.30 2.95 1.04 -1.26 -4.82 113.70 115.60 1ugq s SER 182 Ca 0.79 1.37 -0.02 0.00 0.48 0.00 0.00 55.95 58.56 1ugq s SER 182 Cb -0.33 -2.22 0.45 0.00 0.10 0.00 0.00 66.02 64.02 1ugq s SER 182 CO 0.40 -1.43 1.97 -0.33 0.98 0.00 0.00 173.24 174.82 1ugq h GLU 183 N -0.71 1.08 -0.61 4.02 5.08 -1.94 0.85 114.58 122.34 1ugq h GLU 183 Ca -0.45 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 57.76 1ugq h GLU 183 Cb 1.23 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1ugq h GLU 183 CO 0.60 0.71 0.06 1.49 -1.00 0.00 0.00 179.01 180.88 1ugq h GLU 184 N 1.11 1.04 -0.31 2.33 4.81 -1.99 -0.43 114.58 121.14 1ugq h GLU 184 Ca 0.31 -0.30 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1ugq h GLU 184 Cb -0.11 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1ugq h GLU 184 CO -0.07 0.99 -0.26 0.93 -0.73 0.00 0.00 179.01 179.87 1ugq h GLU 185 N 0.94 0.72 -0.84 1.92 5.08 -1.78 -3.11 114.58 117.51 1ugq h GLU 185 Ca 0.18 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1ugq h GLU 185 Cb 0.48 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1ugq h GLU 185 CO 0.02 0.97 0.42 -0.07 -1.00 0.00 0.00 179.01 179.35 1ugq h LEU 186 N 0.47 1.08 -1.94 1.33 3.38 -0.68 -2.68 115.31 116.26 1ugq h LEU 186 Ca 0.06 -0.12 0.15 0.00 0.09 0.00 0.00 57.88 58.05 1ugq h LEU 186 Cb 0.82 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1ugq h LEU 186 CO 0.07 0.90 0.38 0.00 0.09 0.00 0.00 178.44 179.87 1ugq h ALA 187 N 1.27 2.43 0.00 1.53 0.00 -1.00 0.19 119.26 123.67 1ugq h ALA 187 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1ugq h ALA 187 Cb 0.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ugq h ALA 187 CO -0.04 -0.58 0.00 0.25 0.00 0.00 0.00 179.25 178.88 1ugq n THR 188 N -4.40 0.95 0.39 0.00 -2.24 -1.01 -1.81 114.28 106.16 1ugq n THR 188 Ca 0.10 0.58 0.11 0.00 -2.27 0.00 0.00 64.05 62.57 1ugq n THR 188 Cb 0.57 -1.56 -0.10 0.00 -2.10 0.00 0.00 70.33 67.14 1ugq n THR 188 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ugq n LEU 189 N -2.28 0.45 -4.66 3.22 4.77 0.05 -4.89 117.00 113.66 1ugq n LEU 189 Ca -0.00 -0.11 -0.41 0.00 -0.03 0.00 0.00 56.01 55.45 1ugq n LEU 189 Cb 0.10 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1ugq n LEU 189 CO 0.13 0.06 0.58 -0.69 -1.33 0.00 0.00 177.39 176.15 1ugq s VAL 190 N -3.30 4.89 0.28 4.08 1.01 -0.75 -0.82 120.40 125.78 1ugq s VAL 190 Ca -0.01 1.52 0.11 0.00 0.00 0.00 0.00 61.98 63.60 1ugq s VAL 190 Cb 0.14 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1ugq s VAL 190 CO 0.87 -0.00 -0.12 0.42 0.00 0.00 0.00 175.10 176.26 1ugq s THR 191 N 2.41 2.81 0.25 3.92 -4.23 -1.26 -4.92 115.64 114.62 1ugq s THR 191 Ca 0.35 -2.22 -0.04 0.00 -1.18 0.00 0.00 61.69 58.60 1ugq s THR 191 Cb -0.16 -2.52 0.23 0.00 1.34 0.00 0.00 72.50 71.40 1ugq s THR 191 CO 0.10 -0.38 1.85 -0.09 -0.54 0.00 0.00 174.62 175.56 1ugq h ARG 192 N 2.11 0.94 -0.81 3.99 2.43 -1.96 -1.44 114.38 119.64 1ugq h ARG 192 Ca -0.42 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 1ugq h ARG 192 Cb 1.26 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 30.56 1ugq h ARG 192 CO 0.61 0.62 0.46 0.93 -1.51 0.00 0.00 179.97 181.08 1ugq h GLU 193 N 0.97 1.11 0.00 0.20 3.07 -1.95 -1.88 114.58 116.09 1ugq h GLU 193 Ca 0.40 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 59.12 1ugq h GLU 193 Cb 0.24 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1ugq h GLU 193 CO -0.20 0.80 -0.14 0.66 -1.40 0.00 0.00 179.01 178.73 1ugq h SER 194 N 1.12 0.00 0.08 1.42 4.64 -1.31 -0.89 113.55 118.62 1ugq h SER 194 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1ugq h SER 194 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ugq h SER 194 CO -0.05 0.14 -0.18 0.23 -0.87 0.00 0.00 176.83 176.11 1ugq n MET 195 N -3.53 1.35 -0.06 4.77 2.81 -0.74 -3.50 117.12 118.22 1ugq n MET 195 Ca -0.01 -0.90 -0.02 0.00 -1.81 0.00 0.00 57.70 54.96 1ugq n MET 195 Cb 0.29 -1.48 -0.14 0.00 -0.71 0.00 0.00 33.22 31.17 1ugq n MET 195 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1ugq n ILE 196 N -0.04 0.74 -0.01 2.02 5.41 -0.90 -1.62 119.36 124.96 1ugq n ILE 196 Ca 0.14 -0.63 0.00 0.00 1.00 0.00 0.00 62.75 63.26 1ugq n ILE 196 Cb 0.40 -0.30 0.00 0.00 -0.71 0.00 0.00 39.64 39.03 1ugq n ILE 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ugq n GLY 197 N 1.71 0.45 0.08 7.39 0.00 -0.39 -0.01 105.19 114.42 1ugq n GLY 197 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.96 1ugq n GLY 197 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ugq n VAL 198 N -2.00 0.52 -3.78 1.61 0.24 -1.05 -4.66 118.33 109.21 1ugq n VAL 198 Ca 0.00 -0.09 -0.12 0.00 -2.04 0.00 0.00 64.34 62.10 1ugq n VAL 198 Cb 0.00 -0.69 -0.08 0.00 -1.47 0.00 0.00 33.84 31.60 1ugq n VAL 198 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1ugq s GLU 199 N -3.10 0.74 0.79 7.34 2.02 -1.20 -4.79 118.70 120.49 1ugq s GLU 199 Ca 0.10 -0.47 -0.08 0.00 0.02 0.00 0.00 54.97 54.53 1ugq s GLU 199 Cb 0.13 0.32 0.12 0.00 0.10 0.00 0.00 34.13 34.79 1ugq s GLU 199 CO 0.52 -0.22 1.10 -1.25 0.02 0.00 0.00 175.26 175.43 1ugq s PRO 200 N -2.27 1.63 0.88 0.39 0.04 -1.26 -3.50 135.00 130.91 1ugq s PRO 200 Ca -0.07 -0.47 -0.11 0.00 0.04 0.00 0.00 61.00 60.39 1ugq s PRO 200 Cb -0.02 -2.10 0.12 0.00 0.04 0.00 0.00 34.50 32.54 1ugq s PRO 200 CO -0.02 -1.63 1.11 0.00 0.04 0.00 0.00 177.00 176.50 1ugq s ALA 201 N -3.42 1.61 0.25 8.56 0.00 -1.26 -4.56 121.76 122.95 1ugq s ALA 201 Ca 0.65 0.30 -0.30 0.00 0.00 0.00 0.00 51.96 52.61 1ugq s ALA 201 Cb -0.08 -3.32 -0.11 0.00 0.00 0.00 0.00 23.12 19.61 1ugq s ALA 201 CO 0.47 -2.42 1.54 0.15 0.00 0.00 0.00 175.76 175.50 1ugq s LYS 202 N -4.78 4.19 0.80 0.00 1.02 0.00 -4.92 119.74 116.06 1ugq s LYS 202 Ca 0.64 2.44 -0.11 0.00 0.02 0.00 0.00 55.97 58.96 1ugq s LYS 202 Cb -0.20 -3.08 0.07 0.00 -0.52 0.00 0.00 37.83 34.11 1ugq s LYS 202 CO 0.58 -0.55 1.10 0.00 -0.92 0.00 0.00 175.35 175.55 1ugq s ALA 203 N 0.20 2.22 0.00 5.17 0.00 -1.26 -4.75 121.76 123.34 1ugq s ALA 203 Ca 0.63 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1ugq s ALA 203 Cb -0.45 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1ugq s ALA 203 CO 0.43 -1.76 0.00 0.28 0.00 0.00 0.00 175.76 174.71