#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugp s GLU 3 N 0.00 4.13 -0.22 -2.82 2.12 -1.26 -5.00 118.70 115.64 1ugp s GLU 3 Ca 0.00 2.55 -0.03 0.00 0.36 0.00 0.00 54.97 57.85 1ugp s GLU 3 Cb 0.00 -2.99 0.10 0.00 0.26 0.00 0.00 34.13 31.50 1ugp s GLU 3 CO 0.00 -0.54 0.23 1.21 -0.54 0.00 0.00 175.26 175.62 1ugp s ASN 4 N 0.00 1.55 0.21 -1.70 3.84 -1.26 -5.02 114.94 112.57 1ugp s ASN 4 Ca 0.55 -0.37 0.17 0.00 0.21 0.00 0.00 52.86 53.42 1ugp s ASN 4 Cb -0.46 0.36 0.84 0.00 -0.55 0.00 0.00 41.25 41.43 1ugp s ASN 4 CO 0.59 -0.34 1.52 2.30 -2.79 0.00 0.00 177.10 178.37 1ugp n ILE 5 N 5.31 1.19 0.52 -5.21 -5.35 -1.26 -1.91 119.36 112.65 1ugp n ILE 5 Ca -0.05 0.53 0.12 0.00 -0.27 0.00 0.00 62.75 63.08 1ugp n ILE 5 Cb 0.49 -1.49 0.12 0.00 -1.74 0.00 0.00 39.64 37.02 1ugp n ILE 5 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1ugp h LEU 6 N 0.00 0.00 -9.55 7.28 3.38 -2.02 -3.47 115.31 110.93 1ugp h LEU 6 Ca 0.00 -0.23 -0.53 0.00 0.09 0.00 0.00 57.88 57.21 1ugp h LEU 6 Cb 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1ugp h LEU 6 CO 0.00 0.11 0.25 -0.60 0.09 0.00 0.00 178.44 178.29 1ugp s ARG 7 N -3.19 4.58 1.00 1.13 3.52 -0.80 -5.06 118.95 120.13 1ugp s ARG 7 Ca 0.05 1.24 -0.12 0.00 -0.13 0.00 0.00 55.73 56.76 1ugp s ARG 7 Cb 0.13 -3.37 0.19 0.00 -1.56 0.00 0.00 34.95 30.34 1ugp s ARG 7 CO 0.74 0.25 1.08 0.15 -0.81 0.00 0.00 175.30 176.72 1ugp s LYS 8 N -0.02 0.38 0.72 5.12 1.02 -1.26 -5.00 119.74 120.70 1ugp s LYS 8 Ca 0.42 0.67 -0.13 0.00 0.02 0.00 0.00 55.97 56.96 1ugp s LYS 8 Cb -0.22 -1.72 0.03 0.00 -0.52 0.00 0.00 37.83 35.40 1ugp s LYS 8 CO 0.26 -2.80 1.10 -1.54 -0.92 0.00 0.00 175.35 171.45 1ugp s SER 9 N -3.26 4.81 0.35 2.83 1.04 -1.26 -4.83 113.70 113.39 1ugp s SER 9 Ca 0.65 1.90 0.03 0.00 0.48 0.00 0.00 55.95 59.02 1ugp s SER 9 Cb -0.20 -2.53 0.67 0.00 0.10 0.00 0.00 66.02 64.06 1ugp s SER 9 CO 0.59 -1.83 1.99 0.44 0.98 0.00 0.00 173.24 175.41 1ugp h ASP 10 N -0.58 0.71 -0.28 7.02 3.45 -1.99 -1.02 116.42 123.74 1ugp h ASP 10 Ca -0.45 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 56.98 1ugp h ASP 10 Cb 1.24 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.83 1ugp h ASP 10 CO 0.53 0.50 0.11 -0.08 -1.57 0.00 0.00 179.24 178.73 1ugp h GLU 11 N 0.83 0.41 -0.40 3.56 4.81 -1.99 -0.17 114.58 121.64 1ugp h GLU 11 Ca 0.26 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 1ugp h GLU 11 Cb 0.02 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1ugp h GLU 11 CO -0.07 0.44 -0.13 0.93 -0.73 0.00 0.00 179.01 179.45 1ugp h GLU 12 N 0.30 0.72 -0.37 1.92 4.39 -1.79 -1.43 114.58 118.33 1ugp h GLU 12 Ca 0.09 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.51 1ugp h GLU 12 Cb 0.18 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1ugp h GLU 12 CO -0.01 0.82 0.05 0.82 -1.16 0.00 0.00 179.01 179.54 1ugp h ILE 13 N 0.65 1.24 -0.72 3.13 2.04 -0.96 -1.86 117.51 121.02 1ugp h ILE 13 Ca 0.11 -0.86 -0.06 0.00 1.00 0.00 0.00 64.86 65.05 1ugp h ILE 13 Cb 0.59 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1ugp h ILE 13 CO 0.04 0.29 0.21 1.56 0.00 0.00 0.00 178.15 180.25 1ugp h GLN 14 N 0.45 1.13 -0.53 2.37 1.08 -0.84 -1.35 115.11 117.41 1ugp h GLN 14 Ca 0.11 -0.25 -0.03 0.00 -1.45 0.00 0.00 58.65 57.03 1ugp h GLN 14 Cb 0.37 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 1ugp h GLN 14 CO 0.01 0.97 0.22 -0.22 -0.95 0.00 0.00 178.83 178.86 1ugp h LYS 15 N 1.08 0.79 -0.13 1.46 3.64 -1.10 -0.70 116.57 121.61 1ugp h LYS 15 Ca 0.23 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1ugp h LYS 15 Cb 0.33 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1ugp h LYS 15 CO -0.00 0.69 0.00 1.49 -2.27 0.00 0.00 179.45 179.36 1ugp h GLU 16 N 0.72 0.23 -0.70 1.90 4.57 -1.12 -2.68 114.58 117.50 1ugp h GLU 16 Ca 0.18 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1ugp h GLU 16 Cb 0.19 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1ugp h GLU 16 CO -0.02 0.46 0.45 0.82 -1.18 0.00 0.00 179.01 179.54 1ugp h ILE 17 N -0.03 1.19 -0.52 2.32 2.04 -1.17 -1.46 117.51 119.88 1ugp h ILE 17 Ca 0.04 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.59 1ugp h ILE 17 Cb 0.35 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 1ugp h ILE 17 CO 0.01 0.18 0.25 0.74 0.00 0.00 0.00 178.15 179.33 1ugp h THR 18 N 0.95 0.92 -0.49 -0.27 2.02 -1.06 0.94 112.91 115.92 1ugp h THR 18 Ca 0.25 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 67.20 1ugp h THR 18 Cb -0.08 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 1ugp h THR 18 CO -0.05 0.09 0.03 0.00 0.37 0.00 0.00 175.52 175.95 1ugp h ALA 19 N 1.30 0.65 -0.69 6.16 0.00 -1.16 -1.27 119.26 124.25 1ugp h ALA 19 Ca 0.24 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1ugp h ALA 19 Cb 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1ugp h ALA 19 CO -0.18 0.43 0.15 0.00 0.00 0.00 0.00 179.25 179.65 1ugp h ARG 20 N 0.71 1.11 -0.31 0.00 3.08 -0.68 -1.64 114.38 116.64 1ugp h ARG 20 Ca 0.14 -0.27 -0.18 0.00 0.07 0.00 0.00 59.98 59.74 1ugp h ARG 20 Cb 0.47 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1ugp h ARG 20 CO 0.02 0.99 -0.51 0.28 -1.07 0.00 0.00 179.97 179.67 1ugp h VAL 21 N 1.05 1.27 -0.40 2.04 2.07 -0.71 -1.92 116.25 119.65 1ugp h VAL 21 Ca 0.21 -1.69 -0.08 0.00 0.82 0.00 0.00 66.70 65.96 1ugp h VAL 21 Cb 0.39 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1ugp h VAL 21 CO 0.01 0.56 -0.08 0.50 0.02 0.00 0.00 177.57 178.57 1ugp h LYS 22 N 0.69 0.68 -0.11 1.57 3.64 -1.12 0.88 116.57 122.80 1ugp h LYS 22 Ca 0.02 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1ugp h LYS 22 Cb 1.12 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1ugp h LYS 22 CO 0.12 0.75 0.02 0.00 -2.27 0.00 0.00 179.45 178.07 1ugp h ALA 23 N 1.29 0.14 -0.73 5.00 0.00 -1.19 -0.32 119.26 123.46 1ugp h ALA 23 Ca 0.12 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1ugp h ALA 23 Cb 0.51 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1ugp h ALA 23 CO 0.03 -0.20 0.22 1.25 0.00 0.00 0.00 179.25 180.54 1ugp h LEU 24 N -0.05 1.07 -0.58 0.00 5.85 -1.13 -2.63 115.31 117.84 1ugp h LEU 24 Ca 0.03 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1ugp h LEU 24 Cb 0.29 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1ugp h LEU 24 CO 0.00 1.00 0.38 -0.08 -0.34 0.00 0.00 178.44 179.40 1ugp h GLU 25 N 1.08 0.75 -0.78 1.25 4.81 -0.67 -1.29 114.58 119.72 1ugp h GLU 25 Ca 0.23 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1ugp h GLU 25 Cb 0.32 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1ugp h GLU 25 CO -0.01 0.50 0.51 0.66 -0.73 0.00 0.00 179.01 179.94 1ugp h SER 26 N 0.77 0.83 -0.18 1.04 4.64 -0.71 -0.50 113.55 119.44 1ugp h SER 26 Ca 0.21 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.36 1ugp h SER 26 Cb -0.08 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.82 1ugp h SER 26 CO -0.05 0.58 -0.52 0.24 -0.87 0.00 0.00 176.83 176.20 1ugp h MET 27 N 0.97 0.67 0.00 4.77 2.86 -1.09 -2.10 114.93 121.01 1ugp h MET 27 Ca 0.31 -0.48 -0.08 0.00 -2.06 0.00 0.00 59.70 57.39 1ugp h MET 27 Cb 0.03 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1ugp h MET 27 CO -0.09 1.10 -0.38 -0.07 1.06 0.00 0.00 176.91 178.53 1ugp h LEU 28 N 0.36 0.00 -0.29 1.22 3.38 -0.87 -1.72 115.31 117.38 1ugp h LEU 28 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1ugp h LEU 28 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1ugp h LEU 28 CO 0.11 0.38 -0.16 0.40 0.09 0.00 0.00 178.44 179.26 1ugp h ILE 29 N 0.00 1.30 0.00 1.22 2.04 -1.01 -2.65 117.51 118.40 1ugp h ILE 29 Ca -0.00 -1.27 -0.05 0.00 1.00 0.00 0.00 64.86 64.53 1ugp h ILE 29 Cb 0.68 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1ugp h ILE 29 CO 0.05 0.41 -0.23 -0.33 0.00 0.00 0.00 178.15 178.05 1ugp h GLU 30 N 0.37 0.00 0.00 2.37 5.08 -0.93 -1.09 114.58 120.38 1ugp h GLU 30 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1ugp h GLU 30 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1ugp h GLU 30 CO 0.05 0.23 0.00 1.04 -1.00 0.00 0.00 179.01 179.32 1ugp n GLN 31 N -4.06 0.07 -1.01 2.33 6.02 -0.69 -4.90 117.38 115.14 1ugp n GLN 31 Ca -0.02 0.17 -0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1ugp n GLN 31 Cb 0.30 -1.60 -0.00 0.00 1.02 0.00 0.00 30.24 29.96 1ugp n GLN 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ugp n GLY 32 N 0.82 0.47 0.30 1.08 0.00 -0.41 -4.92 105.19 102.53 1ugp n GLY 32 Ca 0.05 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.01 1ugp n GLY 32 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ugp n ILE 33 N -2.95 0.00 -3.94 -0.61 -5.35 -1.02 -4.92 119.36 100.58 1ugp n ILE 33 Ca -0.00 -0.15 -0.14 0.00 -0.27 0.00 0.00 62.75 62.19 1ugp n ILE 33 Cb 0.03 1.15 -0.14 0.00 -1.74 0.00 0.00 39.64 38.94 1ugp n ILE 33 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1ugp s LEU 34 N -2.69 1.87 0.11 7.28 2.96 -1.16 -5.01 118.68 122.04 1ugp s LEU 34 Ca 0.14 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 1ugp s LEU 34 Cb 0.17 -0.09 -0.04 0.00 0.50 0.00 0.00 46.19 46.73 1ugp s LEU 34 CO 0.69 -0.00 -0.01 0.42 -1.32 0.00 0.00 176.35 176.13 1ugp s THR 35 N 0.13 0.42 0.29 3.68 -4.23 -1.26 -4.14 115.64 110.53 1ugp s THR 35 Ca -0.01 -1.91 -0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1ugp s THR 35 Cb -0.03 -1.82 0.15 0.00 1.34 0.00 0.00 72.50 72.15 1ugp s THR 35 CO -0.00 -0.72 1.83 0.71 -0.54 0.00 0.00 174.62 175.89 1ugp h THR 36 N 2.93 1.22 -0.13 3.99 1.35 -2.01 -2.31 112.91 117.95 1ugp h THR 36 Ca -0.35 -0.81 -0.11 0.00 -0.55 0.00 0.00 66.41 64.59 1ugp h THR 36 Cb 1.18 0.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 1ugp h THR 36 CO 0.63 0.30 -0.39 0.77 -0.25 0.00 0.00 175.52 176.58 1ugp h SER 37 N 0.75 0.29 -0.50 5.36 4.64 -1.99 -1.31 113.55 120.79 1ugp h SER 37 Ca 0.16 -0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.26 1ugp h SER 37 Cb 0.31 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1ugp h SER 37 CO 0.00 0.66 -0.11 -0.03 -0.87 0.00 0.00 176.83 176.48 1ugp h MET 38 N 0.24 0.96 -0.08 4.77 -1.53 -1.87 -0.55 114.93 116.86 1ugp h MET 38 Ca 0.02 -0.37 -0.01 0.00 -3.44 0.00 0.00 59.70 55.91 1ugp h MET 38 Cb 0.80 -0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 31.79 1ugp h MET 38 CO 0.06 1.03 0.03 0.82 0.14 0.00 0.00 176.91 178.99 1ugp h ILE 39 N 0.82 1.16 -0.51 1.77 2.04 -1.20 -2.39 117.51 119.21 1ugp h ILE 39 Ca 0.13 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 1ugp h ILE 39 Cb 0.67 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1ugp h ILE 39 CO 0.05 0.14 0.20 0.44 0.00 0.00 0.00 178.15 178.98 1ugp h ASP 40 N -0.04 0.66 -0.15 1.72 3.32 -1.11 -2.30 116.42 118.52 1ugp h ASP 40 Ca 0.03 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1ugp h ASP 40 Cb 0.20 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1ugp h ASP 40 CO -0.00 0.60 -0.03 -0.09 -1.72 0.00 0.00 179.24 178.00 1ugp h ARG 41 N 0.72 0.29 -0.80 3.56 9.65 -0.98 -1.12 114.38 125.70 1ugp h ARG 41 Ca 0.17 -0.11 0.01 0.00 -1.10 0.00 0.00 59.98 58.95 1ugp h ARG 41 Cb 0.15 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.68 1ugp h ARG 41 CO -0.02 0.56 0.53 0.52 2.80 0.00 0.00 179.97 184.36 1ugp h MET 42 N -0.01 1.05 -0.38 0.20 2.86 -1.28 -1.95 114.93 115.42 1ugp h MET 42 Ca 0.04 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 1ugp h MET 42 Cb 0.45 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1ugp h MET 42 CO 0.01 0.69 0.02 0.00 1.06 0.00 0.00 176.91 178.69 1ugp h ALA 43 N 1.29 0.51 -0.80 6.32 0.00 -1.37 -2.94 119.26 122.27 1ugp h ALA 43 Ca 0.29 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ugp h ALA 43 Cb -0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1ugp h ALA 43 CO -0.06 0.27 0.52 1.49 0.00 0.00 0.00 179.25 181.46 1ugp h GLU 44 N 0.49 1.07 -0.19 0.00 4.57 -0.94 -1.00 114.58 118.58 1ugp h GLU 44 Ca 0.11 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1ugp h GLU 44 Cb 0.44 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1ugp h GLU 44 CO 0.02 0.73 0.11 0.82 -1.18 0.00 0.00 179.01 179.51 1ugp h ILE 45 N 1.09 1.03 -0.01 2.32 2.04 -1.29 -1.73 117.51 120.97 1ugp h ILE 45 Ca 0.29 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 66.07 1ugp h ILE 45 Cb -0.10 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1ugp h ILE 45 CO -0.06 0.04 -0.15 -1.22 0.00 0.00 0.00 178.15 176.76 1ugp n TYR 46 N -4.98 0.00 -0.09 1.37 4.02 -1.11 -0.30 117.16 116.08 1ugp n TYR 46 Ca -0.03 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.76 1ugp n TYR 46 Cb 0.04 -0.14 -0.16 0.00 -0.02 0.00 0.00 39.34 39.06 1ugp n TYR 46 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1ugp n GLU 47 N -0.77 0.68 0.00 -0.72 1.02 -0.40 -4.75 120.64 115.70 1ugp n GLU 47 Ca 0.14 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1ugp n GLU 47 Cb 0.30 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1ugp n GLU 47 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ugp n ASN 48 N -2.81 1.74 -0.13 1.62 3.02 -0.66 -4.95 115.26 113.08 1ugp n ASN 48 Ca -0.30 -0.02 -0.27 0.00 -0.03 0.00 0.00 54.58 53.96 1ugp n ASN 48 Cb 1.14 0.38 -0.10 0.00 -0.61 0.00 0.00 39.78 40.58 1ugp n ASN 48 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ugp n GLU 49 N -0.55 0.60 -3.71 3.52 1.02 -0.21 -4.93 120.64 116.38 1ugp n GLU 49 Ca 0.00 0.26 -0.37 0.00 -0.02 0.00 0.00 57.16 57.04 1ugp n GLU 49 Cb 0.00 -1.52 -0.12 0.00 -0.02 0.00 0.00 31.44 29.78 1ugp n GLU 49 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ugp s VAL 50 N -2.50 4.57 0.33 2.62 1.01 0.59 -5.00 120.40 122.02 1ugp s VAL 50 Ca -0.37 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 1ugp s VAL 50 Cb 0.13 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.42 1ugp s VAL 50 CO 0.52 0.31 0.80 0.61 0.00 0.00 0.00 175.10 177.34 1ugp n GLY 51 N 4.96 0.95 0.12 4.51 0.00 -1.26 -4.43 105.19 110.04 1ugp n GLY 51 Ca -0.16 -1.22 0.09 0.00 0.00 0.00 0.00 46.02 44.73 1ugp n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ugp n PRO 52 N -0.54 0.11 0.25 1.61 -0.04 -1.17 -1.69 135.00 133.53 1ugp n PRO 52 Ca -0.07 0.60 0.12 0.00 -0.04 0.00 0.00 63.50 64.11 1ugp n PRO 52 Cb 0.56 -1.85 0.67 0.00 -0.04 0.00 0.00 33.50 32.84 1ugp n PRO 52 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1ugp h HIS 53 N 0.00 0.00 -0.07 0.54 2.07 -1.92 -1.31 115.15 114.46 1ugp h HIS 53 Ca 0.00 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.44 1ugp h HIS 53 Cb 0.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.99 1ugp h HIS 53 CO 0.00 0.14 -0.27 -0.07 -3.07 0.00 0.00 177.93 174.66 1ugp h LEU 54 N 0.00 0.36 -1.19 6.12 3.38 -1.50 -2.71 115.31 119.78 1ugp h LEU 54 Ca -0.00 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.32 1ugp h LEU 54 Cb 0.43 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1ugp h LEU 54 CO 0.02 0.93 0.28 1.23 0.09 0.00 0.00 178.44 180.99 1ugp h GLY 55 N -0.18 0.90 1.11 0.83 0.00 -0.61 -2.19 103.07 102.94 1ugp h GLY 55 Ca -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.91 1ugp h GLY 55 CO 0.06 0.41 0.58 0.00 0.00 0.00 0.00 176.54 177.58 1ugp h ALA 56 N 1.47 1.39 -0.78 3.60 0.00 -1.20 -0.57 119.26 123.18 1ugp h ALA 56 Ca 0.21 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1ugp h ALA 56 Cb 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1ugp h ALA 56 CO -0.03 0.55 0.30 0.87 0.00 0.00 0.00 179.25 180.95 1ugp h LYS 57 N 1.16 1.17 -0.28 0.00 1.57 -1.07 -1.08 116.57 118.05 1ugp h LYS 57 Ca 0.33 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1ugp h LYS 57 Cb -0.10 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 1ugp h LYS 57 CO -0.08 0.95 -0.09 0.28 -0.57 0.00 0.00 179.45 179.94 1ugp h VAL 58 N 1.14 1.29 -0.16 0.50 2.07 -1.13 -2.38 116.25 117.58 1ugp h VAL 58 Ca 0.26 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.64 1ugp h VAL 58 Cb 0.22 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1ugp h VAL 58 CO -0.02 0.36 0.09 0.58 0.02 0.00 0.00 177.57 178.60 1ugp h VAL 59 N 0.30 1.02 -0.07 2.57 2.07 -0.87 -1.41 116.25 119.86 1ugp h VAL 59 Ca 0.07 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1ugp h VAL 59 Cb 0.59 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1ugp h VAL 59 CO 0.03 0.03 -0.28 -0.37 0.02 0.00 0.00 177.57 177.01 1ugp h VAL 60 N 0.19 1.23 -0.34 2.57 -1.51 -1.21 -0.40 116.25 116.78 1ugp h VAL 60 Ca 0.06 -1.08 -0.13 0.00 -1.23 0.00 0.00 66.70 64.32 1ugp h VAL 60 Cb -0.01 1.49 -0.01 0.00 -2.13 0.00 0.00 31.29 30.64 1ugp h VAL 60 CO -0.03 0.32 -0.28 0.50 -1.23 0.00 0.00 177.57 176.85 1ugp h LYS 61 N 0.11 0.79 -0.74 5.19 3.64 -1.13 -1.56 116.57 122.86 1ugp h LYS 61 Ca 0.02 -0.40 -0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1ugp h LYS 61 Cb 0.55 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 1ugp h LYS 61 CO 0.04 1.02 0.29 0.00 -2.27 0.00 0.00 179.45 178.53 1ugp h ALA 62 N 0.75 0.96 -0.27 5.00 0.00 -0.78 0.22 119.26 125.14 1ugp h ALA 62 Ca 0.06 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1ugp h ALA 62 Cb 0.85 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1ugp h ALA 62 CO 0.07 0.59 -0.06 -1.49 0.00 0.00 0.00 179.25 178.36 1ugp h TRP 63 N 1.07 0.44 -0.35 0.00 6.55 -0.92 -3.14 115.95 119.61 1ugp h TRP 63 Ca 0.25 -0.05 0.00 0.00 0.95 0.00 0.00 58.89 60.04 1ugp h TRP 63 Cb 0.22 -0.13 0.00 0.00 -0.86 0.00 0.00 29.16 28.40 1ugp h TRP 63 CO 0.02 0.49 0.00 0.25 -1.05 0.00 0.00 178.44 178.14 1ugp n THR 64 N -4.27 0.67 -3.38 1.49 -2.24 -0.60 -4.83 114.28 101.11 1ugp n THR 64 Ca 0.01 -0.84 -0.17 0.00 -2.27 0.00 0.00 64.05 60.78 1ugp n THR 64 Cb 0.26 0.78 -0.09 0.00 -2.10 0.00 0.00 70.33 69.18 1ugp n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ugp s ASP 65 N -1.12 1.50 0.30 3.42 -1.08 0.72 -5.03 116.67 115.39 1ugp s ASP 65 Ca 0.29 -1.14 0.03 0.00 -0.52 0.00 0.00 52.55 51.21 1ugp s ASP 65 Cb 0.16 0.50 0.62 0.00 -1.46 0.00 0.00 42.92 42.75 1ugp s ASP 65 CO 0.22 -0.33 1.85 -0.65 0.52 0.00 0.00 175.17 176.78 1ugp h PRO 66 N 7.73 0.89 -0.38 4.34 0.11 -1.84 -0.71 132.00 142.13 1ugp h PRO 66 Ca -0.05 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.93 1ugp h PRO 66 Cb 1.06 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1ugp h PRO 66 CO 0.28 0.59 -0.07 0.93 -0.21 0.00 0.00 178.00 179.52 1ugp h GLU 67 N 0.92 0.72 -0.71 1.05 4.39 -1.95 -1.77 114.58 117.23 1ugp h GLU 67 Ca 0.48 -0.26 -0.07 0.00 0.34 0.00 0.00 59.36 59.85 1ugp h GLU 67 Cb 0.54 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1ugp h GLU 67 CO -0.25 0.85 0.17 0.35 -1.16 0.00 0.00 179.01 178.98 1ugp h PHE 68 N 0.53 1.18 -0.85 4.33 3.57 -1.73 -2.07 116.94 121.90 1ugp h PHE 68 Ca 0.10 -0.14 0.04 0.00 3.53 0.00 0.00 57.97 61.50 1ugp h PHE 68 Cb 0.57 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 1ugp h PHE 68 CO 0.05 0.96 0.54 -0.22 -2.23 0.00 0.00 178.31 177.41 1ugp h LYS 69 N 1.07 1.02 -0.35 1.11 3.64 -0.96 0.27 116.57 122.36 1ugp h LYS 69 Ca 0.22 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1ugp h LYS 69 Cb 0.37 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1ugp h LYS 69 CO 0.00 0.67 0.21 0.87 -2.27 0.00 0.00 179.45 178.93 1ugp h LYS 70 N 1.05 0.48 -0.58 1.90 1.57 -0.88 -1.18 116.57 118.93 1ugp h LYS 70 Ca 0.34 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 59.02 1ugp h LYS 70 Cb 0.04 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1ugp h LYS 70 CO -0.13 0.37 0.12 0.00 -0.57 0.00 0.00 179.45 179.25 1ugp h ARG 71 N 0.46 0.90 -0.38 3.15 3.08 -0.68 -1.15 114.38 119.77 1ugp h ARG 71 Ca 0.13 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1ugp h ARG 71 Cb 0.02 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1ugp h ARG 71 CO -0.02 0.82 0.15 1.25 -1.07 0.00 0.00 179.97 181.10 1ugp h LEU 72 N 0.86 0.51 -0.86 3.04 5.85 -0.07 -0.43 115.31 124.22 1ugp h LEU 72 Ca 0.18 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1ugp h LEU 72 Cb 0.34 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1ugp h LEU 72 CO 0.00 0.54 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.24 1ugp h LEU 73 N 0.46 0.00 0.04 2.25 3.38 -1.05 -2.66 115.31 117.74 1ugp h LEU 73 Ca 0.13 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 1ugp h LEU 73 Cb 0.18 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.95 1ugp h LEU 73 CO -0.01 0.33 -0.76 0.00 0.09 0.00 0.00 178.44 178.09 1ugp h ALA 74 N 1.67 0.03 -1.57 1.53 0.00 -0.88 -3.44 119.26 116.60 1ugp h ALA 74 Ca -0.00 -0.63 -0.19 0.00 0.00 0.00 0.00 54.91 54.09 1ugp h ALA 74 Cb 0.91 0.06 -0.27 0.00 0.00 0.00 0.00 17.79 18.49 1ugp h ALA 74 CO 0.04 0.42 -0.54 0.34 0.00 0.00 0.00 179.25 179.51 1ugp s ASP 75 N -6.92 0.03 0.20 0.00 -1.08 -0.20 -5.05 116.67 103.66 1ugp s ASP 75 Ca -0.13 -0.69 -0.11 0.00 -0.52 0.00 0.00 52.55 51.11 1ugp s ASP 75 Cb 0.03 1.22 0.19 0.00 -1.46 0.00 0.00 42.92 42.90 1ugp s ASP 75 CO 0.85 -0.29 1.81 1.23 0.52 0.00 0.00 175.17 179.29 1ugp h GLY 76 N 7.67 0.90 0.97 2.66 0.00 -1.31 -1.33 103.07 112.63 1ugp h GLY 76 Ca -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1ugp h GLY 76 CO 0.21 0.18 -0.06 -0.84 0.00 0.00 0.00 176.54 176.03 1ugp h THR 77 N 0.68 0.89 -0.69 4.70 2.02 -1.88 -1.17 112.91 117.46 1ugp h THR 77 Ca 0.27 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.31 1ugp h THR 77 Cb 0.11 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1ugp h THR 77 CO -0.15 0.02 0.19 -0.33 0.37 0.00 0.00 175.52 175.62 1ugp h GLU 78 N -0.21 1.09 -0.37 6.66 4.39 -1.90 -2.16 114.58 122.07 1ugp h GLU 78 Ca -0.02 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 1ugp h GLU 78 Cb 0.17 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1ugp h GLU 78 CO 0.03 0.96 0.13 0.00 -1.16 0.00 0.00 179.01 178.97 1ugp h ALA 79 N 1.08 0.49 0.00 3.43 0.00 -1.15 -2.63 119.26 120.48 1ugp h ALA 79 Ca 0.22 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1ugp h ALA 79 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ugp h ALA 79 CO -0.00 0.11 -0.21 0.00 0.00 0.00 0.00 179.25 179.16 1ugp h LYS 81 N 0.00 0.00 0.00 0.00 1.57 -1.01 -1.12 116.57 116.01 1ugp h LYS 81 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1ugp h LYS 81 Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1ugp h LYS 81 CO 0.03 0.07 -0.12 0.93 -0.57 0.00 0.00 179.45 179.78 1ugp h GLU 82 N 0.00 0.00 -0.59 3.15 5.08 -1.27 -1.44 114.58 119.51 1ugp h GLU 82 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ugp h GLU 82 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1ugp h GLU 82 CO 0.01 0.12 0.00 1.28 -1.00 0.00 0.00 179.01 179.42 1ugp n LEU 83 N -3.69 3.76 -0.97 1.33 4.32 -0.52 -4.94 117.00 116.30 1ugp n LEU 83 Ca -0.02 -2.10 -0.10 0.00 -0.02 0.00 0.00 56.01 53.77 1ugp n LEU 83 Cb 0.24 -0.43 -0.03 0.00 -1.62 0.00 0.00 43.42 41.59 1ugp n LEU 83 CO 0.30 0.88 -0.11 0.61 -1.22 0.00 0.00 177.39 177.85 1ugp n GLY 84 N 1.16 0.59 3.48 -0.72 0.00 -0.54 -5.01 105.19 104.15 1ugp n GLY 84 Ca 0.21 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1ugp n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ugp s ILE 85 N -2.45 3.79 -4.83 -0.61 1.01 -0.65 -4.98 121.20 112.47 1ugp s ILE 85 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.26 1ugp s ILE 85 Cb 0.00 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.81 1ugp s ILE 85 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.04 1ugp n GLY 86 N 3.59 -2.64 0.00 6.18 0.00 -1.26 -2.94 105.19 108.12 1ugp n GLY 86 Ca -0.17 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1ugp n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ugp n GLY 87 N -0.80 0.32 3.68 -0.02 0.00 -1.26 -4.82 105.19 102.30 1ugp n GLY 87 Ca 0.00 -1.89 -0.53 0.00 0.00 0.00 0.00 46.02 43.60 1ugp n GLY 87 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ugp n LEU 88 N 0.00 2.70 -1.66 0.99 7.94 -1.26 -1.47 117.00 124.25 1ugp n LEU 88 Ca 0.00 1.05 -0.16 0.00 -1.11 0.00 0.00 56.01 55.78 1ugp n LEU 88 Cb 0.00 -1.24 -0.03 0.00 0.53 0.00 0.00 43.42 42.68 1ugp n LEU 88 CO 0.00 -0.37 -0.19 0.00 -1.11 0.00 0.00 177.39 175.72 1ugp n GLN 89 N 5.32 -1.24 -0.57 1.96 1.13 -1.26 -3.93 117.38 118.78 1ugp n GLN 89 Ca 0.24 0.88 -0.00 0.00 -1.94 0.00 0.00 57.00 56.17 1ugp n GLN 89 Cb 0.20 -5.21 -0.00 0.00 0.11 0.00 0.00 30.24 25.34 1ugp n GLN 89 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ugp n GLY 90 N -1.01 0.81 0.28 1.08 0.00 -0.54 -3.19 105.19 102.62 1ugp n GLY 90 Ca -0.18 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 45.85 1ugp n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ugp h GLU 91 N 0.04 0.35 -3.86 1.61 3.07 -1.76 -3.37 114.58 110.66 1ugp h GLU 91 Ca -0.05 -0.04 -0.58 0.00 -0.50 0.00 0.00 59.36 58.20 1ugp h GLU 91 Cb 1.19 -0.07 -0.40 0.00 -0.84 0.00 0.00 28.75 28.63 1ugp h GLU 91 CO -0.02 0.29 -0.76 -0.51 -1.40 0.00 0.00 179.01 176.62 1ugp s ASP 92 N -6.82 3.82 -0.05 1.42 1.01 -1.26 -4.83 116.67 109.96 1ugp s ASP 92 Ca -0.07 -1.40 0.05 0.00 0.71 0.00 0.00 52.55 51.84 1ugp s ASP 92 Cb 0.17 -0.96 -0.02 0.00 1.01 0.00 0.00 42.92 43.12 1ugp s ASP 92 CO 0.72 -0.34 -0.18 -0.04 0.21 0.00 0.00 175.17 175.54 1ugp s MET 93 N 1.55 2.45 -0.20 8.23 -1.94 -1.26 0.25 119.30 128.37 1ugp s MET 93 Ca 0.04 -0.76 -0.01 0.00 -1.71 0.00 0.00 55.69 53.25 1ugp s MET 93 Cb -0.18 -2.30 0.05 0.00 2.01 0.00 0.00 34.83 34.42 1ugp s MET 93 CO -0.15 0.58 -0.03 1.41 -0.01 0.00 0.00 175.02 176.81 1ugp s MET 94 N -0.62 1.32 0.03 2.03 1.75 0.55 -2.83 119.30 121.52 1ugp s MET 94 Ca 0.09 -0.68 -0.19 0.00 -1.25 0.00 0.00 55.69 53.66 1ugp s MET 94 Cb -0.11 -2.26 -0.06 0.00 2.84 0.00 0.00 34.83 35.24 1ugp s MET 94 CO 0.01 -0.55 0.55 -1.58 -0.65 0.00 0.00 175.02 172.80 1ugp s TRP 95 N 1.59 3.74 -0.08 4.11 0.52 -1.26 -1.73 118.94 125.84 1ugp s TRP 95 Ca -0.02 1.19 0.04 0.00 0.02 0.00 0.00 56.10 57.34 1ugp s TRP 95 Cb -0.17 -2.51 -0.00 0.00 -1.15 0.00 0.00 33.47 29.64 1ugp s TRP 95 CO -0.07 0.50 -0.23 0.14 0.02 0.00 0.00 176.95 177.32 1ugp s VAL 96 N -0.73 1.92 -0.21 4.03 -7.23 0.17 -4.73 120.40 113.62 1ugp s VAL 96 Ca 0.29 -0.96 -0.20 0.00 -1.81 0.00 0.00 61.98 59.30 1ugp s VAL 96 Cb -0.18 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 35.08 1ugp s VAL 96 CO 0.17 0.53 0.61 -0.70 -0.31 0.00 0.00 175.10 175.41 1ugp s GLU 97 N 0.21 4.18 0.30 4.82 2.12 -1.26 -0.46 118.70 128.61 1ugp s GLU 97 Ca -0.13 0.57 -0.28 0.00 0.36 0.00 0.00 54.97 55.48 1ugp s GLU 97 Cb -0.16 -3.59 -0.09 0.00 0.26 0.00 0.00 34.13 30.54 1ugp s GLU 97 CO 0.06 -0.27 1.05 -0.80 -0.54 0.00 0.00 175.26 174.77 1ugp s ASN 98 N 1.26 7.23 0.14 -1.70 0.01 -0.58 -4.89 114.94 116.41 1ugp s ASN 98 Ca 0.27 2.15 0.03 0.00 -0.71 0.00 0.00 52.86 54.60 1ugp s ASN 98 Cb -0.16 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 38.88 1ugp s ASN 98 CO 0.10 -0.16 0.11 0.35 -1.51 0.00 0.00 177.10 175.99 1ugp n THR 99 N 0.95 0.00 0.29 1.60 -2.24 -0.36 -4.38 114.28 110.13 1ugp n THR 99 Ca 0.00 -1.00 0.16 0.00 -2.27 0.00 0.00 64.05 60.94 1ugp n THR 99 Cb 0.46 0.49 0.57 0.00 -2.10 0.00 0.00 70.33 69.76 1ugp n THR 99 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ugp h ASP 100 N 0.83 0.00 0.00 3.42 3.32 -2.03 -3.22 116.42 118.74 1ugp h ASP 100 Ca -0.10 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1ugp h ASP 100 Cb 0.49 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 1ugp h ASP 100 CO 0.14 0.00 -1.85 -0.62 -1.72 0.00 0.00 179.24 175.20 1ugp n GLU 101 N -2.97 0.60 -4.23 3.56 4.71 -1.26 -4.94 120.64 116.10 1ugp n GLU 101 Ca 0.02 -0.15 -0.17 0.00 -0.01 0.00 0.00 57.16 56.85 1ugp n GLU 101 Cb 0.34 -1.43 -0.14 0.00 -1.01 0.00 0.00 31.44 29.20 1ugp n GLU 101 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1ugp s VAL 102 N -3.18 0.54 -0.08 2.62 1.01 -1.22 -2.61 120.40 117.48 1ugp s VAL 102 Ca -0.07 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1ugp s VAL 102 Cb 0.11 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 36.03 1ugp s VAL 102 CO 0.74 0.12 -0.18 -2.28 0.00 0.00 0.00 175.10 173.51 1ugp s HIS 103 N -0.22 1.93 0.04 5.22 2.46 0.07 -1.22 115.29 123.58 1ugp s HIS 103 Ca 0.02 -0.74 0.02 0.00 0.47 0.00 0.00 55.06 54.84 1ugp s HIS 103 Cb -0.03 -1.34 -0.04 0.00 -0.13 0.00 0.00 32.58 31.04 1ugp s HIS 103 CO -0.00 -0.32 0.03 -1.01 -2.47 0.00 0.00 174.74 170.97 1ugp s HIS 104 N 0.46 3.12 -0.10 3.88 3.76 -1.26 -0.30 115.29 124.84 1ugp s HIS 104 Ca -0.15 0.07 -0.08 0.00 -0.15 0.00 0.00 55.06 54.75 1ugp s HIS 104 Cb -0.16 -1.63 0.03 0.00 1.11 0.00 0.00 32.58 31.93 1ugp s HIS 104 CO 0.06 0.50 0.26 0.54 -0.85 0.00 0.00 174.74 175.25 1ugp s VAL 105 N -1.24 -0.01 0.16 -0.90 0.11 -0.54 -4.32 120.40 113.66 1ugp s VAL 105 Ca 0.24 0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.40 1ugp s VAL 105 Cb -0.12 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 1ugp s VAL 105 CO 0.16 0.02 0.03 0.68 -3.33 0.00 0.00 175.10 172.66 1ugp s VAL 106 N 0.50 3.97 0.14 2.04 -7.23 -0.08 -0.38 120.40 119.37 1ugp s VAL 106 Ca -0.03 -1.25 -0.24 0.00 -1.81 0.00 0.00 61.98 58.65 1ugp s VAL 106 Cb -0.04 -2.99 0.07 0.00 0.56 0.00 0.00 36.38 33.98 1ugp s VAL 106 CO -0.03 -0.07 0.63 0.54 -0.31 0.00 0.00 175.10 175.87 1ugp s VAL 107 N -1.65 0.00 -0.46 1.32 0.11 -0.15 -4.91 120.40 114.65 1ugp s VAL 107 Ca 0.28 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.36 1ugp s VAL 107 Cb -0.10 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.88 1ugp s VAL 107 CO 0.20 0.00 0.24 0.00 -3.33 0.00 0.00 175.10 172.21 1ugp h THR 109 N 5.36 1.02 0.01 0.00 1.35 -1.89 -3.36 112.91 115.41 1ugp h THR 109 Ca -0.04 -0.70 -0.23 0.00 -0.55 0.00 0.00 66.41 64.89 1ugp h THR 109 Cb 0.92 1.39 -0.03 0.00 -1.73 0.00 0.00 68.15 68.70 1ugp h THR 109 CO 0.55 0.19 -1.15 -0.07 -0.25 0.00 0.00 175.52 174.79 1ugp h LEU 110 N 0.00 0.04 -8.35 3.87 3.38 -1.93 -3.47 115.31 108.85 1ugp h LEU 110 Ca -0.00 -0.05 -0.68 0.00 0.09 0.00 0.00 57.88 57.24 1ugp h LEU 110 Cb 0.37 -0.01 -0.32 0.00 0.09 0.00 0.00 40.66 40.79 1ugp h LEU 110 CO 0.03 1.04 -0.87 -0.94 0.09 0.00 0.00 178.44 177.79 1ugp s SER 112 N -6.65 3.20 0.00 -0.43 1.04 -1.26 -5.22 113.70 104.39 1ugp s SER 112 Ca -0.01 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1ugp s SER 112 Cb 0.09 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.77 1ugp s SER 112 CO 0.83 0.15 0.00 0.00 0.98 0.00 0.00 173.24 175.19 1ugp n TYR 114 N 3.61 0.00 -2.39 5.02 9.36 -1.26 -4.91 117.16 126.59 1ugp n TYR 114 Ca -0.19 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.65 1ugp n TYR 114 Cb 0.53 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.21 1ugp n TYR 114 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1ugp s PRO 115 N -2.61 3.43 0.25 2.98 0.04 -1.26 -4.80 135.00 133.03 1ugp s PRO 115 Ca 0.00 -1.64 -0.04 0.00 0.04 0.00 0.00 61.00 59.37 1ugp s PRO 115 Cb 0.00 -5.42 0.49 0.00 0.04 0.00 0.00 34.50 29.62 1ugp s PRO 115 CO 0.00 -2.87 1.70 -1.49 0.04 0.00 0.00 177.00 174.38 1ugp h TRP 116 N 8.50 0.41 -0.30 0.56 4.06 -1.70 -1.46 115.95 126.02 1ugp h TRP 116 Ca 0.35 0.04 0.09 0.00 2.06 0.00 0.00 58.89 61.43 1ugp h TRP 116 Cb 0.90 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.99 1ugp h TRP 116 CO 1.34 -0.02 0.22 -1.35 -3.56 0.00 0.00 178.44 175.07 1ugp h PRO 117 N 0.35 0.00 0.00 0.49 0.11 -1.81 0.27 132.00 131.41 1ugp h PRO 117 Ca 0.43 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.52 1ugp h PRO 117 Cb 0.72 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 1ugp h PRO 117 CO -0.47 0.00 -1.67 1.33 -0.21 0.00 0.00 178.00 176.98 1ugp n VAL 118 N -4.43 0.09 -0.01 3.15 0.24 -0.94 -4.61 118.33 111.82 1ugp n VAL 118 Ca 0.04 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1ugp n VAL 118 Cb 0.39 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 1ugp n VAL 118 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ugp n LEU 119 N -2.04 0.19 0.00 1.34 4.77 -0.59 -0.89 117.00 119.77 1ugp n LEU 119 Ca -0.04 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 1ugp n LEU 119 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1ugp n LEU 119 CO 0.29 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1ugp n GLY 120 N 0.75 -1.53 3.77 -0.72 0.00 0.94 -3.06 105.19 105.34 1ugp n GLY 120 Ca 0.00 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 1ugp n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ugp s LEU 121 N 0.00 4.29 0.54 0.99 1.43 -1.26 -4.11 118.68 120.56 1ugp s LEU 121 Ca 0.00 2.26 -0.20 0.00 -1.03 0.00 0.00 54.13 55.15 1ugp s LEU 121 Cb 0.00 -3.94 -0.05 0.00 0.03 0.00 0.00 46.19 42.23 1ugp s LEU 121 CO 0.00 -0.47 1.18 -2.16 0.23 0.00 0.00 176.35 175.13 1ugp s PRO 122 N -2.09 3.33 0.71 1.29 0.04 -1.26 -5.01 135.00 132.01 1ugp s PRO 122 Ca 0.53 1.77 -0.13 0.00 0.04 0.00 0.00 61.00 63.21 1ugp s PRO 122 Cb -0.29 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.17 1ugp s PRO 122 CO 0.37 -0.91 1.11 -1.25 0.04 0.00 0.00 177.00 176.37 1ugp s PRO 123 N -3.11 2.52 0.34 0.56 0.04 -1.26 -4.92 135.00 129.17 1ugp s PRO 123 Ca 0.72 1.36 0.06 0.00 0.04 0.00 0.00 61.00 63.18 1ugp s PRO 123 Cb -0.28 -1.92 0.72 0.00 0.04 0.00 0.00 34.50 33.06 1ugp s PRO 123 CO 0.32 -1.46 1.90 -0.91 0.04 0.00 0.00 177.00 176.89 1ugp h ASN 124 N -0.40 0.72 -0.20 6.66 2.35 -2.00 -2.38 115.58 120.33 1ugp h ASN 124 Ca -0.46 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.30 1ugp h ASN 124 Cb 1.25 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 1ugp h ASN 124 CO 0.52 0.42 0.10 4.11 -1.65 0.00 0.00 177.43 180.93 1ugp h TRP 125 N 0.80 0.33 -0.16 1.19 5.08 -1.95 -1.56 115.95 119.68 1ugp h TRP 125 Ca 0.40 -0.00 -0.09 0.00 1.08 0.00 0.00 58.89 60.28 1ugp h TRP 125 Cb 0.48 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 26.52 1ugp h TRP 125 CO -0.00 0.26 -0.29 0.35 -1.28 0.00 0.00 178.44 177.48 1ugp h PHE 126 N 0.34 0.33 0.00 0.12 3.57 -1.79 -2.81 116.94 116.69 1ugp h PHE 126 Ca 0.09 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1ugp h PHE 126 Cb 0.07 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1ugp h PHE 126 CO 0.00 0.57 -0.37 1.63 -2.23 0.00 0.00 178.31 177.90 1ugp n LYS 127 N -4.12 0.09 -2.87 1.11 5.02 -0.65 -4.64 118.16 112.11 1ugp n LYS 127 Ca -0.01 0.04 -0.31 0.00 -2.02 0.00 0.00 58.31 56.01 1ugp n LYS 127 Cb 0.40 -1.57 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 1ugp n LYS 127 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ugp s GLU 128 N -3.05 3.82 0.52 1.97 2.02 -0.84 -4.84 118.70 118.30 1ugp s GLU 128 Ca 0.10 0.53 0.20 0.00 0.02 0.00 0.00 54.97 55.82 1ugp s GLU 128 Cb 0.16 -2.38 1.32 0.00 0.10 0.00 0.00 34.13 33.33 1ugp s GLU 128 CO 0.66 -0.02 2.07 -1.35 0.02 0.00 0.00 175.26 176.64 1ugp h PRO 129 N 1.39 0.02 0.36 0.39 0.11 -1.92 -2.96 132.00 129.39 1ugp h PRO 129 Ca -0.47 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1ugp h PRO 129 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ugp h PRO 129 CO 0.64 0.01 -0.17 1.96 -0.21 0.00 0.00 178.00 180.22 1ugp h GLN 130 N 0.02 -0.47 -0.08 1.05 7.50 -1.94 -1.01 115.11 120.17 1ugp h GLN 130 Ca 0.12 0.03 -0.02 0.00 0.50 0.00 0.00 58.65 59.28 1ugp h GLN 130 Cb 0.48 0.11 -0.00 0.00 0.05 0.00 0.00 27.48 28.11 1ugp h GLN 130 CO -0.00 -0.26 -0.04 -0.92 -1.50 0.00 0.00 178.83 176.10 1ugp h TYR 131 N -0.58 0.20 -0.84 2.96 3.20 -1.76 -2.99 116.97 117.16 1ugp h TYR 131 Ca -0.05 -0.05 0.08 0.00 3.14 0.00 0.00 58.73 61.85 1ugp h TYR 131 Cb 0.43 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.59 1ugp h TYR 131 CO -0.03 0.55 0.51 0.00 -1.64 0.00 0.00 178.16 177.55 1ugp h ARG 132 N -0.21 0.86 -0.20 1.82 3.08 -1.56 -1.61 114.38 116.56 1ugp h ARG 132 Ca 0.02 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.85 1ugp h ARG 132 Cb 0.50 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1ugp h ARG 132 CO 0.01 0.57 -0.53 0.66 -1.07 0.00 0.00 179.97 179.61 1ugp h SER 133 N 0.89 0.82 0.47 7.04 4.64 -1.24 -3.38 113.55 122.79 1ugp h SER 133 Ca 0.39 -0.57 -0.30 0.00 -0.47 0.00 0.00 61.79 60.83 1ugp h SER 133 Cb 0.27 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1ugp h SER 133 CO -0.21 1.25 -1.46 -0.09 -0.87 0.00 0.00 176.83 175.45 1ugp h ARG 134 N 0.43 0.28 -0.59 4.77 2.43 -1.36 -3.39 114.38 116.95 1ugp h ARG 134 Ca -0.01 -0.48 0.12 0.00 -0.81 0.00 0.00 59.98 58.79 1ugp h ARG 134 Cb 1.15 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.84 1ugp h ARG 134 CO 0.12 1.17 0.40 -0.24 -1.51 0.00 0.00 179.97 179.91 1ugp h VAL 135 N 0.08 0.85 0.00 0.20 3.04 -1.47 0.19 116.25 119.14 1ugp h VAL 135 Ca -0.22 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1ugp h VAL 135 Cb 2.02 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 1ugp h VAL 135 CO 0.18 0.06 -0.10 1.33 -1.01 0.00 0.00 177.57 178.03 1ugp n VAL 136 N -4.46 0.49 -0.09 1.51 0.24 -1.26 -3.08 118.33 111.69 1ugp n VAL 136 Ca 0.10 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 62.03 1ugp n VAL 136 Cb 0.44 -0.50 -0.08 0.00 -1.47 0.00 0.00 33.84 32.23 1ugp n VAL 136 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1ugp n ARG 137 N -2.15 0.44 -3.09 7.34 0.63 -0.39 -4.78 116.66 114.67 1ugp n ARG 137 Ca 0.05 0.10 -0.20 0.00 -0.92 0.00 0.00 57.85 56.88 1ugp n ARG 137 Cb 0.42 -1.35 -0.03 0.00 0.45 0.00 0.00 32.46 31.96 1ugp n ARG 137 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1ugp n GLU 138 N -3.00 1.58 -0.36 -0.14 1.02 0.54 -4.97 120.64 115.31 1ugp n GLU 138 Ca -0.31 -3.76 -0.03 0.00 -0.02 0.00 0.00 57.16 53.05 1ugp n GLU 138 Cb 0.83 -1.83 0.10 0.00 -0.02 0.00 0.00 31.44 30.52 1ugp n GLU 138 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1ugp h PRO 139 N 2.99 1.26 -0.19 3.49 0.13 -1.68 -1.06 132.00 136.95 1ugp h PRO 139 Ca 0.10 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1ugp h PRO 139 Cb 0.86 -0.28 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1ugp h PRO 139 CO 0.58 0.85 0.07 -0.09 -0.23 0.00 0.00 178.00 179.18 1ugp h ARG 140 N 1.30 0.28 -0.63 0.86 2.43 -1.93 -1.38 114.38 115.31 1ugp h ARG 140 Ca 0.35 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.37 1ugp h ARG 140 Cb -0.13 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1ugp h ARG 140 CO -0.07 0.37 0.05 1.96 -1.51 0.00 0.00 179.97 180.77 1ugp h GLN 141 N 0.13 1.09 -0.13 0.20 7.50 -1.93 -2.52 115.11 119.45 1ugp h GLN 141 Ca 0.06 -0.32 -0.00 0.00 0.50 0.00 0.00 58.65 58.88 1ugp h GLN 141 Cb 0.20 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.62 1ugp h GLN 141 CO -0.00 1.03 0.07 1.25 -1.50 0.00 0.00 178.83 179.68 1ugp h LEU 142 N 1.00 0.16 -0.93 1.46 6.46 -1.08 0.65 115.31 123.02 1ugp h LEU 142 Ca 0.19 -0.09 0.03 0.00 -0.12 0.00 0.00 57.88 57.89 1ugp h LEU 142 Cb 0.51 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.35 1ugp h LEU 142 CO 0.02 0.20 0.61 -0.07 -0.62 0.00 0.00 178.44 178.59 1ugp h LEU 143 N 0.11 1.03 0.16 2.25 3.38 -1.18 0.21 115.31 121.27 1ugp h LEU 143 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ugp h LEU 143 Cb 0.07 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1ugp h LEU 143 CO -0.01 0.71 -0.08 0.50 0.09 0.00 0.00 178.44 179.66 1ugp h LYS 144 N 1.20 -0.21 -0.35 1.13 3.64 -0.99 -0.77 116.57 120.23 1ugp h LYS 144 Ca 0.37 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.69 1ugp h LYS 144 Cb -0.03 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1ugp h LYS 144 CO -0.11 0.21 -0.06 0.93 -2.27 0.00 0.00 179.45 178.15 1ugp h GLU 145 N -0.73 0.65 0.14 1.90 5.08 -0.80 -1.32 114.58 119.51 1ugp h GLU 145 Ca -0.02 -0.24 -0.36 0.00 -1.00 0.00 0.00 59.36 57.74 1ugp h GLU 145 Cb 0.51 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1ugp h GLU 145 CO 0.04 0.81 -1.89 1.49 -1.00 0.00 0.00 179.01 178.45 1ugp h GLU 146 N 0.44 0.29 -0.06 2.33 4.57 -1.09 -3.40 114.58 117.67 1ugp h GLU 146 Ca 0.09 -0.50 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 1ugp h GLU 146 Cb 0.55 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 1ugp h GLU 146 CO 0.03 1.21 0.00 1.19 -1.18 0.00 0.00 179.01 180.26 1ugp n PHE 147 N -3.49 0.06 -1.96 0.92 3.01 -0.75 -4.97 117.46 110.27 1ugp n PHE 147 Ca -0.28 -0.05 -0.19 0.00 1.01 0.00 0.00 57.45 57.94 1ugp n PHE 147 Cb 1.06 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.48 1ugp n PHE 147 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ugp n GLY 148 N 0.77 0.72 3.34 1.37 0.00 -0.50 -4.95 105.19 105.94 1ugp n GLY 148 Ca 0.09 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ugp n GLY 148 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ugp s PHE 149 N -2.84 3.27 -0.38 1.61 5.36 -0.37 -4.92 117.98 119.71 1ugp s PHE 149 Ca 0.00 -1.13 -0.17 0.00 -0.96 0.00 0.00 56.93 54.67 1ugp s PHE 149 Cb 0.00 -2.72 0.01 0.00 -0.34 0.00 0.00 43.02 39.97 1ugp s PHE 149 CO 0.00 -0.74 0.45 -2.00 -1.46 0.00 0.00 175.22 171.47 1ugp s GLU 150 N 1.53 3.38 -0.34 10.12 2.12 -1.26 -2.18 118.70 132.07 1ugp s GLU 150 Ca 0.03 -0.48 -0.11 0.00 0.36 0.00 0.00 54.97 54.76 1ugp s GLU 150 Cb -0.21 -3.88 -0.00 0.00 0.26 0.00 0.00 34.13 30.30 1ugp s GLU 150 CO 0.05 -0.72 0.20 0.08 -0.54 0.00 0.00 175.26 174.34 1ugp s VAL 151 N 2.22 4.89 0.23 3.70 1.01 -1.26 -5.06 120.40 126.13 1ugp s VAL 151 Ca 0.14 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 1ugp s VAL 151 Cb -0.16 -3.55 -0.15 0.00 0.00 0.00 0.00 36.38 32.52 1ugp s VAL 151 CO 0.13 -0.03 1.01 -2.65 0.00 0.00 0.00 175.10 173.57 1ugp n PRO 152 N 5.04 1.08 -0.28 2.72 -0.02 -1.26 -4.85 135.00 137.43 1ugp n PRO 152 Ca -0.13 0.38 0.25 0.00 -2.02 0.00 0.00 63.50 61.98 1ugp n PRO 152 Cb 0.49 -1.76 0.58 0.00 -0.02 0.00 0.00 33.50 32.79 1ugp n PRO 152 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1ugp h PRO 153 N 2.43 0.27 0.00 0.52 0.11 -2.03 0.60 132.00 133.89 1ugp h PRO 153 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1ugp h PRO 153 Cb 1.36 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1ugp h PRO 153 CO 0.64 0.18 0.00 -1.13 -0.21 0.00 0.00 178.00 177.48 1ugp n SER 154 N -4.47 0.65 -4.69 -2.05 3.41 -1.26 -4.70 113.62 100.51 1ugp n SER 154 Ca 0.23 0.60 -0.39 0.00 -0.26 0.00 0.00 58.87 59.06 1ugp n SER 154 Cb 0.90 -0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 1ugp n SER 154 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1ugp s LYS 155 N -3.18 4.25 0.22 4.33 2.20 0.20 -5.05 119.74 122.71 1ugp s LYS 155 Ca 0.08 0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 55.81 1ugp s LYS 155 Cb 0.11 -3.51 -0.09 0.00 -1.51 0.00 0.00 37.83 32.83 1ugp s LYS 155 CO 0.49 -0.03 1.19 -2.00 -0.36 0.00 0.00 175.35 174.64 1ugp s GLU 156 N 1.24 4.50 -0.23 4.03 2.12 -1.07 -4.83 118.70 124.45 1ugp s GLU 156 Ca 0.25 1.91 -0.05 0.00 0.36 0.00 0.00 54.97 57.44 1ugp s GLU 156 Cb -0.15 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.02 1ugp s GLU 156 CO 0.10 -0.04 -0.01 0.42 -0.54 0.00 0.00 175.26 175.19 1ugp s ILE 157 N -0.41 3.58 -0.26 -3.70 1.01 -1.26 -0.75 121.20 119.40 1ugp s ILE 157 Ca 0.51 -0.48 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 1ugp s ILE 157 Cb -0.34 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 1ugp s ILE 157 CO 0.39 0.37 0.09 -0.54 0.00 0.00 0.00 174.94 175.25 1ugp s LYS 158 N 1.50 3.61 -0.23 2.79 1.02 0.59 -4.97 119.74 124.04 1ugp s LYS 158 Ca 0.05 -0.52 -0.09 0.00 0.02 0.00 0.00 55.97 55.43 1ugp s LYS 158 Cb -0.15 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 1ugp s LYS 158 CO -0.02 -0.23 0.13 0.08 -0.92 0.00 0.00 175.35 174.39 1ugp s VAL 159 N 1.62 5.08 -0.33 3.17 1.01 -1.26 -1.46 120.40 128.24 1ugp s VAL 159 Ca 0.06 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 1ugp s VAL 159 Cb -0.16 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1ugp s VAL 159 CO 0.05 0.37 0.17 0.26 0.00 0.00 0.00 175.10 175.94 1ugp s TRP 160 N 1.00 3.20 -0.36 5.22 0.52 0.49 -4.97 118.94 124.04 1ugp s TRP 160 Ca 0.06 -0.67 -0.15 0.00 0.02 0.00 0.00 56.10 55.36 1ugp s TRP 160 Cb -0.14 -2.38 -0.01 0.00 -1.15 0.00 0.00 33.47 29.80 1ugp s TRP 160 CO 0.04 -0.50 0.35 0.34 0.02 0.00 0.00 176.95 177.19 1ugp s ASP 161 N 1.60 6.16 -1.22 2.95 -1.08 -1.26 -0.98 116.67 122.84 1ugp s ASP 161 Ca 0.04 -0.37 -0.18 0.00 -0.52 0.00 0.00 52.55 51.51 1ugp s ASP 161 Cb -0.18 -2.19 -0.02 0.00 -1.46 0.00 0.00 42.92 39.08 1ugp s ASP 161 CO 0.06 -0.36 2.00 -1.54 0.52 0.00 0.00 175.17 175.85 1ugp n SER 162 N 5.35 3.70 0.07 -0.34 3.41 0.02 -4.67 113.62 121.16 1ugp n SER 162 Ca -0.10 -2.80 0.13 0.00 -0.26 0.00 0.00 58.87 55.84 1ugp n SER 162 Cb 0.49 -1.56 0.38 0.00 -0.26 0.00 0.00 64.21 63.26 1ugp n SER 162 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ugp n SER 163 N 8.08 0.63 -1.68 4.04 3.41 -1.26 -4.85 113.62 122.00 1ugp n SER 163 Ca 0.50 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 1ugp n SER 163 Cb 0.42 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1ugp n SER 163 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ugp n SER 164 N -2.06 1.91 0.00 4.04 3.41 -1.26 -5.02 113.62 114.65 1ugp n SER 164 Ca 0.05 -0.84 0.15 0.00 -0.26 0.00 0.00 58.87 57.97 1ugp n SER 164 Cb 0.41 0.00 0.78 0.00 -0.26 0.00 0.00 64.21 65.14 1ugp n SER 164 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ugp n GLU 165 N -0.04 0.54 -2.26 4.33 -0.58 -1.26 -4.76 120.64 116.61 1ugp n GLU 165 Ca 0.00 0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.33 1ugp n GLU 165 Cb 0.00 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.34 1ugp n GLU 165 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1ugp s MET 166 N -2.44 4.34 -0.23 3.49 1.75 -1.26 -4.39 119.30 120.55 1ugp s MET 166 Ca 0.32 1.95 -0.06 0.00 -1.25 0.00 0.00 55.69 56.64 1ugp s MET 166 Cb 0.20 -3.38 -0.03 0.00 2.84 0.00 0.00 34.83 34.46 1ugp s MET 166 CO 0.43 -0.43 0.04 1.03 -0.65 0.00 0.00 175.02 175.44 1ugp s ARG 167 N 1.51 3.62 -0.08 4.11 1.81 0.14 -4.80 118.95 125.26 1ugp s ARG 167 Ca 0.62 -0.50 -0.16 0.00 -1.72 0.00 0.00 55.73 53.97 1ugp s ARG 167 Cb -0.33 -3.22 -0.05 0.00 -0.45 0.00 0.00 34.95 30.90 1ugp s ARG 167 CO 0.29 -0.12 0.43 -0.06 -0.68 0.00 0.00 175.30 175.15 1ugp s PHE 168 N 1.40 3.59 -0.02 -0.53 0.40 -1.26 -0.33 117.98 121.24 1ugp s PHE 168 Ca 0.05 0.89 0.03 0.00 -0.60 0.00 0.00 56.93 57.30 1ugp s PHE 168 Cb -0.15 -2.42 -0.00 0.00 0.51 0.00 0.00 43.02 40.96 1ugp s PHE 168 CO 0.02 0.36 -0.09 0.08 0.70 0.00 0.00 175.22 176.29 1ugp s VAL 169 N -0.07 0.79 -0.12 -0.44 1.01 -0.70 -4.76 120.40 116.10 1ugp s VAL 169 Ca 0.24 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.65 1ugp s VAL 169 Cb -0.15 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1ugp s VAL 169 CO 0.11 0.23 0.44 -0.69 0.00 0.00 0.00 175.10 175.19 1ugp s VAL 170 N -0.01 5.20 -0.55 2.92 1.01 -0.24 -0.65 120.40 128.06 1ugp s VAL 170 Ca 0.00 0.88 -0.17 0.00 0.00 0.00 0.00 61.98 62.69 1ugp s VAL 170 Cb -0.06 -3.78 0.12 0.00 0.00 0.00 0.00 36.38 32.65 1ugp s VAL 170 CO 0.00 0.35 0.57 -0.22 0.00 0.00 0.00 175.10 175.80 1ugp s LEU 171 N 0.52 5.87 0.66 3.92 2.96 0.39 -4.34 118.68 128.67 1ugp s LEU 171 Ca 0.24 -1.63 -0.15 0.00 -0.22 0.00 0.00 54.13 52.36 1ugp s LEU 171 Cb -0.15 -2.25 0.00 0.00 0.50 0.00 0.00 46.19 44.30 1ugp s LEU 171 CO 0.09 -0.94 1.13 -2.16 -1.32 0.00 0.00 176.35 173.15 1ugp s PRO 172 N 2.00 2.71 0.48 0.98 0.04 -1.26 -1.52 135.00 138.42 1ugp s PRO 172 Ca 0.06 1.48 -0.23 0.00 0.04 0.00 0.00 61.00 62.36 1ugp s PRO 172 Cb -0.28 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 1ugp s PRO 172 CO 0.04 -1.34 1.21 -0.65 0.04 0.00 0.00 177.00 176.31 1ugp s GLN 173 N -3.99 3.60 -0.06 4.56 -0.21 -1.26 -4.82 119.66 117.47 1ugp s GLN 173 Ca 0.69 1.88 -0.30 0.00 0.02 0.00 0.00 55.36 57.65 1ugp s GLN 173 Cb -0.23 -2.36 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 1ugp s GLN 173 CO 0.41 -0.72 1.31 0.50 -2.12 0.00 0.00 175.29 174.67 1ugp s ARG 174 N -2.76 4.29 0.57 2.91 3.52 -1.26 -4.56 118.95 121.66 1ugp s ARG 174 Ca 0.66 1.80 -0.21 0.00 -0.13 0.00 0.00 55.73 57.85 1ugp s ARG 174 Cb -0.31 -3.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.40 1ugp s ARG 174 CO 0.38 -0.57 1.27 -2.30 -0.81 0.00 0.00 175.30 173.27 1ugp n PRO 175 N 5.70 1.45 -1.58 5.12 -0.02 -1.26 -4.97 135.00 139.43 1ugp n PRO 175 Ca 0.13 0.54 -0.32 0.00 -2.02 0.00 0.00 63.50 61.82 1ugp n PRO 175 Cb 0.45 -2.49 0.06 0.00 -0.02 0.00 0.00 33.50 31.51 1ugp n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ugp s ALA 176 N -1.34 2.38 -0.30 3.55 0.00 -1.26 -3.83 121.76 120.96 1ugp s ALA 176 Ca 0.74 0.47 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1ugp s ALA 176 Cb -0.42 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1ugp s ALA 176 CO 0.47 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 175.17 1ugp n GLY 177 N -0.69 0.42 0.14 0.00 0.00 -1.26 -4.45 105.19 99.35 1ugp n GLY 177 Ca 0.10 -0.84 0.09 0.00 0.00 0.00 0.00 46.02 45.37 1ugp n GLY 177 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ugp n THR 178 N -3.48 1.67 -1.69 2.61 -2.24 -1.25 -5.00 114.28 104.90 1ugp n THR 178 Ca -0.04 -2.03 -0.44 0.00 -2.27 0.00 0.00 64.05 59.27 1ugp n THR 178 Cb 0.33 -0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.37 1ugp n THR 178 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ugp n ASP 179 N -1.26 3.62 0.00 3.42 8.00 -1.26 -2.11 116.55 126.96 1ugp n ASP 179 Ca 0.14 1.05 0.00 0.00 0.71 0.00 0.00 54.79 56.69 1ugp n ASP 179 Cb 0.65 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.25 1ugp n ASP 179 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ugp n GLY 180 N 3.84 0.48 3.75 0.44 0.00 -1.26 -5.00 105.19 107.44 1ugp n GLY 180 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1ugp n GLY 180 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ugp s TRP 181 N -2.24 2.39 0.71 1.61 0.52 -0.90 -5.01 118.94 116.02 1ugp s TRP 181 Ca 0.00 1.54 -0.11 0.00 0.02 0.00 0.00 56.10 57.55 1ugp s TRP 181 Cb 0.00 -3.42 0.02 0.00 -1.15 0.00 0.00 33.47 28.91 1ugp s TRP 181 CO 0.00 -2.15 1.07 -1.54 0.02 0.00 0.00 176.95 174.35 1ugp s SER 182 N -1.81 5.29 0.36 2.95 1.04 -1.26 -4.84 113.70 115.44 1ugp s SER 182 Ca 0.75 1.45 0.03 0.00 0.48 0.00 0.00 55.95 58.66 1ugp s SER 182 Cb -0.28 -2.31 0.67 0.00 0.10 0.00 0.00 66.02 64.20 1ugp s SER 182 CO 0.35 -1.48 2.02 -0.33 0.98 0.00 0.00 173.24 174.78 1ugp h GLU 183 N -0.74 0.78 -0.43 4.02 5.08 -1.95 -0.30 114.58 121.04 1ugp h GLU 183 Ca -0.45 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 1ugp h GLU 183 Cb 1.23 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1ugp h GLU 183 CO 0.59 0.52 0.13 1.49 -1.00 0.00 0.00 179.01 180.74 1ugp h GLU 184 N 0.80 0.67 -0.46 2.33 4.81 -2.00 -0.72 114.58 120.01 1ugp h GLU 184 Ca 0.22 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 1ugp h GLU 184 Cb -0.08 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1ugp h GLU 184 CO -0.05 0.66 -0.05 0.93 -0.73 0.00 0.00 179.01 179.77 1ugp h GLU 185 N 0.55 0.84 -0.27 1.92 5.08 -1.78 -2.96 114.58 117.97 1ugp h GLU 185 Ca 0.14 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1ugp h GLU 185 Cb 0.27 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1ugp h GLU 185 CO -0.00 0.92 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.79 1ugp h LEU 186 N 0.69 0.40 -2.10 1.33 3.38 -0.89 -2.73 115.31 115.38 1ugp h LEU 186 Ca 0.12 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ugp h LEU 186 Cb 0.57 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ugp h LEU 186 CO 0.03 0.51 -0.04 0.00 0.09 0.00 0.00 178.44 179.03 1ugp h ALA 187 N 1.53 1.71 0.00 1.53 0.00 -0.95 -1.60 119.26 121.48 1ugp h ALA 187 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ugp h ALA 187 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ugp h ALA 187 CO 0.02 0.05 0.00 1.79 0.00 0.00 0.00 179.25 181.11 1ugp h THR 188 N 0.00 0.00 0.00 0.00 1.35 -1.51 -2.48 112.91 110.27 1ugp h THR 188 Ca -0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1ugp h THR 188 Cb 0.09 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1ugp h THR 188 CO 0.01 0.00 -1.21 0.18 -0.25 0.00 0.00 175.52 174.24 1ugp n LEU 189 N -2.36 0.55 -4.63 3.87 4.77 -0.60 -4.88 117.00 113.72 1ugp n LEU 189 Ca 0.01 -0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.54 1ugp n LEU 189 Cb 0.19 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1ugp n LEU 189 CO 0.18 0.04 0.46 -0.69 -1.33 0.00 0.00 177.39 176.05 1ugp s VAL 190 N -3.25 4.94 0.33 4.08 1.01 -0.94 -0.60 120.40 125.98 1ugp s VAL 190 Ca 0.01 1.23 0.09 0.00 0.00 0.00 0.00 61.98 63.31 1ugp s VAL 190 Cb 0.14 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1ugp s VAL 190 CO 0.83 -0.01 0.03 0.42 0.00 0.00 0.00 175.10 176.37 1ugp s THR 191 N 2.60 2.75 0.23 3.92 -4.23 -1.26 -4.91 115.64 114.74 1ugp s THR 191 Ca 0.28 -1.93 -0.07 0.00 -1.18 0.00 0.00 61.69 58.79 1ugp s THR 191 Cb -0.15 -2.82 0.21 0.00 1.34 0.00 0.00 72.50 71.08 1ugp s THR 191 CO 0.08 -0.22 1.90 -0.09 -0.54 0.00 0.00 174.62 175.76 1ugp h ARG 192 N 1.78 1.14 -0.57 3.99 2.43 -1.97 -2.09 114.38 119.10 1ugp h ARG 192 Ca -0.43 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 58.65 1ugp h ARG 192 Cb 1.25 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.52 1ugp h ARG 192 CO 0.66 0.75 0.25 0.93 -1.51 0.00 0.00 179.97 181.04 1ugp h GLU 193 N 1.17 0.81 0.00 0.20 3.07 -1.95 -1.91 114.58 115.97 1ugp h GLU 193 Ca 0.34 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 59.05 1ugp h GLU 193 Cb -0.09 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 27.67 1ugp h GLU 193 CO -0.09 0.65 -0.16 0.66 -1.40 0.00 0.00 179.01 178.67 1ugp h SER 194 N 0.80 0.00 0.44 1.42 4.64 -1.47 -0.56 113.55 118.83 1ugp h SER 194 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1ugp h SER 194 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1ugp h SER 194 CO -0.02 0.16 -0.59 0.23 -0.87 0.00 0.00 176.83 175.73 1ugp n MET 195 N -3.33 0.02 -0.05 4.77 2.81 -0.76 -3.59 117.12 116.99 1ugp n MET 195 Ca 0.00 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.82 1ugp n MET 195 Cb 0.38 -1.51 -0.14 0.00 -0.71 0.00 0.00 33.22 31.24 1ugp n MET 195 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1ugp n ILE 196 N -1.54 1.43 0.00 2.02 5.41 -0.92 -1.08 119.36 124.68 1ugp n ILE 196 Ca 0.05 -0.80 0.00 0.00 1.00 0.00 0.00 62.75 63.00 1ugp n ILE 196 Cb 0.34 -0.75 0.00 0.00 -0.71 0.00 0.00 39.64 38.52 1ugp n ILE 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ugp n GLY 197 N 1.60 0.58 0.04 7.39 0.00 -0.26 -0.90 105.19 113.64 1ugp n GLY 197 Ca -0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.93 1ugp n GLY 197 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ugp n VAL 198 N -1.90 0.30 -3.75 1.61 0.24 -0.93 -4.66 118.33 109.24 1ugp n VAL 198 Ca 0.00 -0.08 -0.11 0.00 -2.04 0.00 0.00 64.34 62.11 1ugp n VAL 198 Cb 0.00 -0.59 -0.07 0.00 -1.47 0.00 0.00 33.84 31.72 1ugp n VAL 198 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1ugp s GLU 199 N -3.05 0.86 0.75 7.34 2.02 -1.19 -4.79 118.70 120.64 1ugp s GLU 199 Ca 0.12 -0.59 -0.06 0.00 0.02 0.00 0.00 54.97 54.46 1ugp s GLU 199 Cb 0.16 0.37 0.10 0.00 0.10 0.00 0.00 34.13 34.86 1ugp s GLU 199 CO 0.53 -0.29 1.05 -1.25 0.02 0.00 0.00 175.26 175.33 1ugp s PRO 200 N -2.91 1.79 0.74 0.39 0.04 -1.26 -3.71 135.00 130.08 1ugp s PRO 200 Ca -0.02 -0.55 -0.13 0.00 0.04 0.00 0.00 61.00 60.34 1ugp s PRO 200 Cb 0.00 -2.17 0.04 0.00 0.04 0.00 0.00 34.50 32.41 1ugp s PRO 200 CO -0.06 -1.48 1.14 0.00 0.04 0.00 0.00 177.00 176.64 1ugp s ALA 201 N -3.31 2.20 0.12 8.56 0.00 -1.26 -4.58 121.76 123.48 1ugp s ALA 201 Ca 0.64 0.59 -0.34 0.00 0.00 0.00 0.00 51.96 52.85 1ugp s ALA 201 Cb -0.08 -3.37 -0.13 0.00 0.00 0.00 0.00 23.12 19.54 1ugp s ALA 201 CO 0.46 -1.74 1.67 1.63 0.00 0.00 0.00 175.76 177.77 1ugp n LYS 202 N -2.97 2.26 -1.43 0.00 5.02 0.23 -4.90 118.16 116.38 1ugp n LYS 202 Ca 0.11 0.82 -0.31 0.00 -2.02 0.00 0.00 58.31 56.91 1ugp n LYS 202 Cb 0.52 -2.62 0.07 0.00 -0.02 0.00 0.00 35.03 32.98 1ugp n LYS 202 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ugp s ALA 203 N 1.69 2.45 0.00 7.82 0.00 -1.26 -4.78 121.76 127.67 1ugp s ALA 203 Ca 0.81 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1ugp s ALA 203 Cb -0.65 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1ugp s ALA 203 CO 0.40 -1.50 0.00 0.28 0.00 0.00 0.00 175.76 174.94