#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fup n ASP 3 N 0.00 0.44 -4.75 2.55 5.75 -1.26 -4.73 116.55 114.56 2fup n ASP 3 Ca 0.00 -2.02 -0.41 0.00 -0.01 0.00 0.00 54.79 52.35 2fup n ASP 3 Cb 0.00 -0.12 -0.02 0.00 -1.03 0.00 0.00 41.12 39.95 2fup n ASP 3 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2fup s SER 4 N -1.97 6.64 0.00 -1.12 0.15 -1.26 -4.90 113.70 111.24 2fup s SER 4 Ca 0.23 2.70 0.28 0.00 0.70 0.00 0.00 55.95 59.86 2fup s SER 4 Cb 0.29 -2.63 1.60 0.00 -1.71 0.00 0.00 66.02 63.57 2fup s SER 4 CO -0.11 -0.70 2.00 -0.81 1.20 0.00 0.00 173.24 174.83 2fup n PRO 5 N 2.01 0.75 -0.03 5.44 -0.04 -1.26 -4.41 135.00 137.45 2fup n PRO 5 Ca 0.06 0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.42 2fup n PRO 5 Cb 0.40 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 2fup n PRO 5 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2fup h THR 6 N 0.00 1.06 -0.40 0.52 2.02 -1.99 -0.41 112.91 113.70 2fup h THR 6 Ca 0.00 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 2fup h THR 6 Cb 0.07 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2fup h THR 6 CO 0.00 0.06 0.14 0.25 0.37 0.00 0.00 175.52 176.33 2fup h LEU 7 N 0.21 0.57 -1.13 2.58 5.85 -2.00 -0.92 115.31 120.48 2fup h LEU 7 Ca 0.06 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 2fup h LEU 7 Cb 0.00 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2fup h LEU 7 CO -0.01 0.61 0.06 0.25 -0.34 0.00 0.00 178.44 179.00 2fup h LEU 8 N 0.50 0.63 -0.66 2.25 5.85 -1.79 -1.43 115.31 120.66 2fup h LEU 8 Ca 0.13 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 2fup h LEU 8 Cb 0.23 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2fup h LEU 8 CO -0.01 0.66 0.17 -0.78 -0.34 0.00 0.00 178.44 178.15 2fup h ASP 9 N 0.64 0.99 -0.70 1.25 3.58 -0.60 -0.28 116.42 121.31 2fup h ASP 9 Ca 0.14 -0.23 -0.05 0.00 0.42 0.00 0.00 57.03 57.31 2fup h ASP 9 Cb 0.32 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 2fup h ASP 9 CO 0.01 0.96 0.25 -0.07 -2.88 0.00 0.00 179.24 177.50 2fup h LEU 10 N 0.98 1.00 -0.37 2.28 3.38 -0.60 0.46 115.31 122.44 2fup h LEU 10 Ca 0.21 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2fup h LEU 10 Cb 0.35 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2fup h LEU 10 CO 0.00 0.92 0.14 -0.26 0.09 0.00 0.00 178.44 179.33 2fup h PHE 11 N 1.02 0.57 -0.34 1.13 0.04 -0.95 -1.09 116.94 117.31 2fup h PHE 11 Ca 0.23 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.96 2fup h PHE 11 Cb 0.26 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 2fup h PHE 11 CO 0.02 0.52 0.22 0.00 -0.60 0.00 0.00 178.31 178.47 2fup h ALA 12 N 0.99 0.43 -0.76 2.45 0.00 -0.62 -0.39 119.26 121.37 2fup h ALA 12 Ca 0.12 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2fup h ALA 12 Cb 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2fup h ALA 12 CO -0.01 -0.12 0.49 0.93 0.00 0.00 0.00 179.25 180.54 2fup h GLU 13 N 0.44 1.00 -0.38 0.00 5.08 -0.84 -2.64 114.58 117.24 2fup h GLU 13 Ca 0.13 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 2fup h GLU 13 Cb -0.03 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 2fup h GLU 13 CO -0.04 0.67 -0.26 -0.44 -1.00 0.00 0.00 179.01 177.94 2fup h ASP 14 N 1.03 0.82 -0.69 1.42 3.45 -0.79 -0.71 116.42 120.95 2fup h ASP 14 Ca 0.28 -0.31 0.02 0.00 0.43 0.00 0.00 57.03 57.44 2fup h ASP 14 Cb -0.10 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 38.40 2fup h ASP 14 CO -0.06 1.04 0.44 0.40 -1.57 0.00 0.00 179.24 179.49 2fup h ILE 15 N 0.68 1.12 -0.14 0.35 2.04 -0.95 0.24 117.51 120.85 2fup h ILE 15 Ca 0.09 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2fup h ILE 15 Cb 0.79 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2fup h ILE 15 CO 0.07 0.16 0.07 1.23 0.00 0.00 0.00 178.15 179.67 2fup h GLY 16 N 0.87 0.22 0.84 5.37 0.00 -1.08 -0.18 103.07 109.12 2fup h GLY 16 Ca 0.27 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.51 2fup h GLY 16 CO -0.09 0.11 0.22 0.45 0.00 0.00 0.00 176.54 177.23 2fup h HIS 17 N 0.10 0.40 -0.57 5.60 3.86 -0.79 -1.57 115.15 122.18 2fup h HIS 17 Ca 0.05 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.17 2fup h HIS 17 Cb 0.13 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 2fup h HIS 17 CO -0.02 0.22 -0.06 0.00 0.86 0.00 0.00 177.93 178.93 2fup h ALA 18 N 1.20 0.77 -0.57 2.45 0.00 -0.39 0.86 119.26 123.58 2fup h ALA 18 Ca 0.17 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2fup h ALA 18 Cb 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2fup h ALA 18 CO -0.10 0.66 0.38 -0.91 0.00 0.00 0.00 179.25 179.27 2fup h ASN 19 N 0.93 0.66 -0.62 0.00 2.35 -0.90 -0.64 115.58 117.36 2fup h ASN 19 Ca 0.15 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 2fup h ASN 19 Cb 0.62 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 2fup h ASN 19 CO 0.04 0.48 0.19 -0.61 -1.65 0.00 0.00 177.43 175.87 2fup h GLN 20 N 0.78 0.97 -0.38 0.81 4.15 -0.96 -1.63 115.11 118.83 2fup h GLN 20 Ca 0.21 -0.21 0.01 0.00 0.77 0.00 0.00 58.65 59.43 2fup h GLN 20 Cb -0.09 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.44 2fup h GLN 20 CO -0.05 0.86 0.24 1.25 -1.93 0.00 0.00 178.83 179.21 2fup h LEU 21 N 0.89 0.41 -0.56 -2.39 5.85 -0.57 -0.88 115.31 118.06 2fup h LEU 21 Ca 0.20 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.94 2fup h LEU 21 Cb 0.30 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2fup h LEU 21 CO -0.00 0.29 0.35 0.25 -0.34 0.00 0.00 178.44 178.98 2fup h LEU 22 N 0.49 0.57 -0.70 2.25 5.85 -0.85 0.11 115.31 123.03 2fup h LEU 22 Ca 0.14 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 2fup h LEU 22 Cb -0.03 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2fup h LEU 22 CO -0.05 0.40 0.43 1.56 -0.34 0.00 0.00 178.44 180.44 2fup h GLN 23 N 0.69 0.95 -0.57 1.25 4.20 -1.01 -1.13 115.11 119.48 2fup h GLN 23 Ca 0.22 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 2fup h GLN 23 Cb 0.00 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 2fup h GLN 23 CO -0.09 0.67 0.11 -0.07 -0.67 0.00 0.00 178.83 178.79 2fup h LEU 24 N 0.96 0.85 -0.94 1.46 3.38 -0.42 0.13 115.31 120.73 2fup h LEU 24 Ca 0.25 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2fup h LEU 24 Cb -0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2fup h LEU 24 CO -0.05 0.84 -0.02 0.58 0.09 0.00 0.00 178.44 179.88 2fup h VAL 25 N 0.86 1.24 -0.40 1.22 2.07 -0.51 0.16 116.25 120.89 2fup h VAL 25 Ca 0.18 -1.01 -0.13 0.00 0.82 0.00 0.00 66.70 66.56 2fup h VAL 25 Cb 0.35 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2fup h VAL 25 CO 0.00 0.35 -0.29 -0.78 0.02 0.00 0.00 177.57 176.88 2fup h ASP 26 N 0.70 0.89 -0.63 0.57 3.58 -0.89 -0.87 116.42 119.77 2fup h ASP 26 Ca 0.14 -0.36 -0.02 0.00 0.42 0.00 0.00 57.03 57.20 2fup h ASP 26 Cb 0.46 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 2fup h ASP 26 CO 0.02 1.11 0.31 -0.08 -2.88 0.00 0.00 179.24 177.72 2fup h GLU 27 N 0.73 0.91 -0.78 0.28 4.81 -0.45 -1.02 114.58 119.06 2fup h GLU 27 Ca 0.08 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2fup h GLU 27 Cb 0.84 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 2fup h GLU 27 CO 0.07 0.73 0.41 1.49 -0.73 0.00 0.00 179.01 180.98 2fup h GLU 28 N 0.87 1.10 -0.52 1.92 4.81 -0.73 -0.92 114.58 121.11 2fup h GLU 28 Ca 0.22 -0.14 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 2fup h GLU 28 Cb 0.12 -0.21 -0.07 0.00 0.63 0.00 0.00 28.75 29.22 2fup h GLU 28 CO -0.03 0.83 0.16 0.35 -0.73 0.00 0.00 179.01 179.59 2fup h PHE 29 N 1.08 0.26 -0.50 0.92 3.57 -0.77 0.89 116.94 122.41 2fup h PHE 29 Ca 0.27 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 2fup h PHE 29 Cb 0.07 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2fup h PHE 29 CO 0.01 0.05 0.23 1.96 -2.23 0.00 0.00 178.31 178.33 2fup h GLN 30 N 0.31 0.72 -0.44 1.11 4.20 -0.82 -0.11 115.11 120.07 2fup h GLN 30 Ca 0.26 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.89 2fup h GLN 30 Cb 0.32 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 2fup h GLN 30 CO -0.29 0.61 0.25 0.00 -0.67 0.00 0.00 178.83 178.72 2fup h ALA 31 N 1.07 0.56 -0.42 3.87 0.00 -0.69 -1.10 119.26 122.55 2fup h ALA 31 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2fup h ALA 31 Cb 0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2fup h ALA 31 CO -0.02 -0.09 0.25 -0.07 0.00 0.00 0.00 179.25 179.32 2fup h LEU 32 N 0.49 0.40 -1.37 0.00 3.38 -0.42 -0.26 115.31 117.54 2fup h LEU 32 Ca 0.18 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.20 2fup h LEU 32 Cb 0.05 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2fup h LEU 32 CO -0.10 0.29 0.46 -0.33 0.09 0.00 0.00 178.44 178.85 2fup h GLU 33 N 0.50 0.78 -0.23 1.13 4.39 -0.80 -2.43 114.58 117.92 2fup h GLU 33 Ca 0.17 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2fup h GLU 33 Cb 0.01 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 2fup h GLU 33 CO -0.08 0.51 0.00 0.54 -1.16 0.00 0.00 179.01 178.83 2fup n ARG 34 N -4.47 2.16 -3.50 2.33 1.74 -0.43 -4.95 116.66 109.54 2fup n ARG 34 Ca 0.09 -1.73 -0.24 0.00 -0.77 0.00 0.00 57.85 55.20 2fup n ARG 34 Cb 0.17 -1.46 0.06 0.00 -1.02 0.00 0.00 32.46 30.20 2fup n ARG 34 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2fup n ARG 35 N 0.98 -6.81 -3.06 5.56 3.00 -0.23 -4.94 116.66 111.15 2fup n ARG 35 Ca 0.17 0.81 -0.45 0.00 -0.01 0.00 0.00 57.85 58.38 2fup n ARG 35 Cb 0.49 -5.79 -0.03 0.00 0.00 0.00 0.00 32.46 27.13 2fup n ARG 35 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2fup s GLU 36 N -6.21 3.30 -0.00 5.56 2.02 -0.48 -4.93 118.70 117.96 2fup s GLU 36 Ca 0.53 -1.57 -0.21 0.00 0.02 0.00 0.00 54.97 53.74 2fup s GLU 36 Cb -0.24 -4.47 -0.21 0.00 0.10 0.00 0.00 34.13 29.31 2fup s GLU 36 CO 0.65 -1.60 1.14 1.25 0.02 0.00 0.00 175.26 176.71 2fup h LEU 37 N 9.93 0.42 -1.95 1.80 7.12 -1.92 -3.33 115.31 127.37 2fup h LEU 37 Ca -0.10 -0.70 0.02 0.00 0.13 0.00 0.00 57.88 57.22 2fup h LEU 37 Cb 1.06 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 41.06 2fup h LEU 37 CO 1.06 1.06 0.08 -0.65 -0.13 0.00 0.00 178.44 179.86 2fup h PRO 38 N -0.18 0.06 0.00 5.25 0.11 -2.00 -1.46 132.00 133.78 2fup h PRO 38 Ca -0.04 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 2fup h PRO 38 Cb 1.09 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2fup h PRO 38 CO 0.08 0.04 -0.13 -0.24 -0.21 0.00 0.00 178.00 177.54 2fup h VAL 39 N 0.06 0.30 -0.82 3.15 3.04 -2.00 -3.21 116.25 116.77 2fup h VAL 39 Ca 0.05 -0.96 -0.02 0.00 -1.01 0.00 0.00 66.70 64.75 2fup h VAL 39 Cb 0.12 1.76 -0.04 0.00 -2.01 0.00 0.00 31.29 31.12 2fup h VAL 39 CO -0.01 0.13 0.43 -0.07 -1.01 0.00 0.00 177.57 177.05 2fup h LEU 40 N 0.00 1.03 -1.09 3.16 3.38 -1.39 -0.52 115.31 119.88 2fup h LEU 40 Ca -0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2fup h LEU 40 Cb 0.75 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2fup h LEU 40 CO 0.02 0.85 0.49 -0.61 0.09 0.00 0.00 178.44 179.27 2fup h GLN 41 N 1.14 1.12 -0.27 1.13 4.15 -1.71 -1.54 115.11 119.13 2fup h GLN 41 Ca 0.29 -0.10 -0.14 0.00 0.77 0.00 0.00 58.65 59.46 2fup h GLN 41 Cb 0.06 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 2fup h GLN 41 CO -0.04 0.79 -0.42 1.96 -1.93 0.00 0.00 178.83 179.19 2fup h GLN 42 N 1.13 0.67 -0.56 1.69 1.08 -1.47 -1.95 115.11 115.70 2fup h GLN 42 Ca 0.30 -0.35 -0.10 0.00 -1.45 0.00 0.00 58.65 57.04 2fup h GLN 42 Cb -0.04 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 2fup h GLN 42 CO -0.05 0.96 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.68 2fup h LEU 43 N 0.54 0.98 -0.75 1.46 3.38 -0.92 -0.52 115.31 119.49 2fup h LEU 43 Ca 0.04 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.78 2fup h LEU 43 Cb 0.95 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 2fup h LEU 43 CO 0.09 1.06 0.45 0.25 0.09 0.00 0.00 178.44 180.37 2fup h LEU 44 N 0.91 0.69 -0.98 1.67 5.85 -1.09 -1.12 115.31 121.24 2fup h LEU 44 Ca 0.16 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 2fup h LEU 44 Cb 0.58 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2fup h LEU 44 CO 0.03 0.45 -0.14 1.23 -0.34 0.00 0.00 178.44 179.67 2fup h GLY 45 N 0.83 0.62 1.76 3.75 0.00 -0.88 -2.47 103.07 106.68 2fup h GLY 45 Ca 0.33 -0.46 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 2fup h GLY 45 CO -0.17 0.42 -0.52 0.00 0.00 0.00 0.00 176.54 176.27 2fup h ALA 46 N 1.32 0.95 0.00 3.60 0.00 -0.63 -3.13 119.26 121.37 2fup h ALA 46 Ca 0.09 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 2fup h ALA 46 Cb 0.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2fup h ALA 46 CO 0.04 0.67 -0.44 0.87 0.00 0.00 0.00 179.25 180.39 2fup h LYS 47 N 0.20 0.00 0.52 0.00 1.57 -0.80 -3.37 116.57 114.69 2fup h LYS 47 Ca 0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2fup h LYS 47 Cb 0.98 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 2fup h LYS 47 CO 0.08 0.44 -0.46 1.96 -0.57 0.00 0.00 179.45 180.90 2fup h GLN 48 N 0.00 -0.93 0.00 3.15 1.08 -1.40 -2.36 115.11 114.65 2fup h GLN 48 Ca -0.00 0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2fup h GLN 48 Cb 1.02 0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 28.66 2fup h GLN 48 CO 0.06 -0.62 -0.00 -1.00 -0.95 0.00 0.00 178.83 176.31 2fup h PRO 49 N -0.97 0.00 -0.91 1.46 0.13 -1.74 -2.03 132.00 127.94 2fup h PRO 49 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2fup h PRO 49 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2fup h PRO 49 CO -0.03 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.02 2fup n LEU 50 N -4.06 1.12 0.00 1.56 4.77 -0.89 -1.74 117.00 117.76 2fup n LEU 50 Ca -0.03 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 2fup n LEU 50 Cb 0.09 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2fup n LEU 50 CO 0.29 0.22 0.00 0.00 -1.33 0.00 0.00 177.39 176.58 2fup n GLN 52 N 0.37 0.00 -0.13 3.23 0.00 -0.76 -0.44 117.38 119.65 2fup n GLN 52 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.00 56.90 2fup n GLN 52 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.45 2fup n GLN 52 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 2fup h GLN 53 N 0.00 0.60 -0.96 2.61 4.20 -1.60 -0.26 115.11 119.70 2fup h GLN 53 Ca 0.00 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.57 2fup h GLN 53 Cb 0.00 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.65 2fup h GLN 53 CO 0.00 0.64 0.63 -0.07 -0.67 0.00 0.00 178.83 179.35 2fup h LEU 54 N 0.46 1.11 0.20 1.46 3.38 -1.01 0.65 115.31 121.55 2fup h LEU 54 Ca 0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2fup h LEU 54 Cb 0.31 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2fup h LEU 54 CO 0.00 0.81 -0.10 -0.08 0.09 0.00 0.00 178.44 179.17 2fup h GLU 55 N 1.30 -0.26 -0.57 1.13 4.81 -1.76 0.85 114.58 120.09 2fup h GLU 55 Ca 0.35 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.59 2fup h GLU 55 Cb -0.13 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 2fup h GLU 55 CO -0.07 -0.09 0.34 0.00 -0.73 0.00 0.00 179.01 178.46 2fup h ARG 56 N -0.37 0.78 -0.07 1.92 3.08 -0.93 -1.73 114.38 117.05 2fup h ARG 56 Ca -0.03 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 2fup h ARG 56 Cb 0.29 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2fup h ARG 56 CO 0.04 0.56 -0.64 -0.91 -1.07 0.00 0.00 179.97 177.96 2fup h ASN 57 N 0.77 0.29 -0.81 7.04 2.35 -0.80 -0.07 115.58 124.35 2fup h ASN 57 Ca 0.20 -0.17 0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2fup h ASN 57 Cb -0.01 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 2fup h ASN 57 CO -0.04 0.85 0.53 1.23 -1.65 0.00 0.00 177.43 178.35 2fup h GLY 58 N 1.49 1.14 1.57 2.83 0.00 -0.53 -0.10 103.07 109.47 2fup h GLY 58 Ca -0.01 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 2fup h GLY 58 CO 0.10 0.40 -0.02 3.21 0.00 0.00 0.00 176.54 180.23 2fup h ARG 59 N 1.08 0.53 -0.05 4.80 3.08 -0.71 -1.04 114.38 122.08 2fup h ARG 59 Ca 0.30 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 2fup h ARG 59 Cb -0.10 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.87 2fup h ARG 59 CO -0.07 0.57 -0.01 0.00 -1.07 0.00 0.00 179.97 179.39 2fup h ALA 60 N 1.48 0.07 -0.81 0.04 0.00 -0.44 -1.41 119.26 118.18 2fup h ALA 60 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2fup h ALA 60 Cb 0.36 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2fup h ALA 60 CO 0.01 -0.23 0.51 0.00 0.00 0.00 0.00 179.25 179.55 2fup h ARG 61 N -0.24 1.08 -0.78 0.00 3.08 -0.91 -1.48 114.38 115.12 2fup h ARG 61 Ca 0.01 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 2fup h ARG 61 Cb 0.39 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 2fup h ARG 61 CO 0.00 0.74 0.42 0.00 -1.07 0.00 0.00 179.97 180.07 2fup h ALA 62 N 1.28 1.00 -0.54 0.04 0.00 -1.15 -1.71 119.26 118.19 2fup h ALA 62 Ca 0.29 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 2fup h ALA 62 Cb -0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 2fup h ALA 62 CO -0.06 0.52 -0.01 1.49 0.00 0.00 0.00 179.25 181.19 2fup h GLU 63 N 1.08 0.93 -0.07 0.00 4.57 -0.76 0.10 114.58 120.43 2fup h GLU 63 Ca 0.27 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2fup h GLU 63 Cb 0.04 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.53 2fup h GLU 63 CO -0.04 0.92 0.03 0.82 -1.18 0.00 0.00 179.01 179.56 2fup h ILE 64 N 0.86 1.11 -0.64 2.32 2.04 -0.99 -1.00 117.51 121.20 2fup h ILE 64 Ca 0.16 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 2fup h ILE 64 Cb 0.51 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2fup h ILE 64 CO 0.03 0.09 0.08 -0.07 0.00 0.00 0.00 178.15 178.28 2fup h LEU 65 N -0.01 1.03 -0.70 1.44 3.38 -1.09 -2.21 115.31 117.16 2fup h LEU 65 Ca 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2fup h LEU 65 Cb 0.12 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2fup h LEU 65 CO -0.00 1.05 0.41 -0.09 0.09 0.00 0.00 178.44 179.89 2fup h ARG 66 N 0.98 0.96 0.00 1.13 2.43 -0.64 -1.94 114.38 117.30 2fup h ARG 66 Ca 0.19 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2fup h ARG 66 Cb 0.47 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2fup h ARG 66 CO 0.02 0.69 -0.29 0.93 -1.51 0.00 0.00 179.97 179.81 2fup h GLU 67 N 0.95 0.00 0.00 0.20 5.08 -1.09 -1.12 114.58 118.60 2fup h GLU 67 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2fup h GLU 67 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2fup h GLU 67 CO -0.04 0.29 0.00 0.00 -1.00 0.00 0.00 179.01 178.26 2fup n ALA 68 N -2.38 2.43 -1.33 3.43 0.00 -0.78 -4.91 120.51 116.97 2fup n ALA 68 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 2fup n ALA 68 Cb 0.38 -1.48 -0.00 0.00 0.00 0.00 0.00 19.45 18.34 2fup n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fup n GLY 69 N 1.36 0.43 3.73 0.00 0.00 -0.42 -5.05 105.19 105.24 2fup n GLY 69 Ca 0.12 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 2fup n GLY 69 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2fup s VAL 70 N -2.06 3.73 0.64 1.61 -7.23 -0.92 -5.05 120.40 111.13 2fup s VAL 70 Ca 0.00 -1.69 -0.15 0.00 -1.81 0.00 0.00 61.98 58.33 2fup s VAL 70 Cb 0.00 -3.07 -0.01 0.00 0.56 0.00 0.00 36.38 33.86 2fup s VAL 70 CO 0.00 -0.33 1.10 -0.94 -0.31 0.00 0.00 175.10 174.61 2fup s SER 71 N -3.77 5.31 -1.21 4.85 1.04 -1.26 -4.30 113.70 114.35 2fup s SER 71 Ca 0.33 1.95 -0.06 0.00 0.48 0.00 0.00 55.95 58.65 2fup s SER 71 Cb -0.06 -2.55 0.21 0.00 0.10 0.00 0.00 66.02 63.72 2fup s SER 71 CO 0.22 -1.49 1.91 0.18 0.98 0.00 0.00 173.24 175.04 2fup n LEU 72 N -2.31 7.05 0.00 2.42 4.77 -1.26 -3.78 117.00 123.90 2fup n LEU 72 Ca 0.10 -4.93 -0.06 0.00 -0.03 0.00 0.00 56.01 51.08 2fup n LEU 72 Cb 0.52 -1.36 0.02 0.00 -2.33 0.00 0.00 43.42 40.27 2fup n LEU 72 CO 0.48 1.71 0.55 -0.90 -1.33 0.00 0.00 177.39 177.90 2fup n ASP 73 N 2.24 -1.85 0.03 -1.43 5.68 -1.26 -5.02 116.55 114.94 2fup n ASP 73 Ca 0.43 -2.19 -0.02 0.00 -0.50 0.00 0.00 54.79 52.51 2fup n ASP 73 Cb 0.31 3.06 0.24 0.00 -1.14 0.00 0.00 41.12 43.59 2fup n ASP 73 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 2fup h ARG 74 N 0.00 0.45 -0.67 0.11 2.43 -1.99 -0.76 114.38 113.95 2fup h ARG 74 Ca -0.28 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 58.68 2fup h ARG 74 Cb 1.07 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 2fup h ARG 74 CO 0.35 0.64 0.15 0.93 -1.51 0.00 0.00 179.97 180.53 2fup h GLU 75 N 0.40 1.07 -0.29 0.20 4.39 -1.97 0.96 114.58 119.36 2fup h GLU 75 Ca 0.07 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.48 2fup h GLU 75 Cb 0.59 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2fup h GLU 75 CO 0.04 0.96 0.08 0.78 -1.16 0.00 0.00 179.01 179.71 2fup h GLY 76 N 1.06 0.49 0.75 -3.84 0.00 -1.51 -1.45 103.07 98.58 2fup h GLY 76 Ca 0.21 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.29 2fup h GLY 76 CO 0.00 0.28 0.29 -2.00 0.00 0.00 0.00 176.54 175.11 2fup h LEU 77 N 0.30 0.43 -1.25 3.11 5.85 -0.96 0.23 115.31 123.02 2fup h LEU 77 Ca 0.09 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2fup h LEU 77 Cb 0.26 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2fup h LEU 77 CO -0.00 0.30 0.44 0.00 -0.34 0.00 0.00 178.44 178.84 2fup h ALA 78 N 1.28 1.44 -0.42 1.25 0.00 -0.63 0.39 119.26 122.57 2fup h ALA 78 Ca 0.23 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2fup h ALA 78 Cb 0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2fup h ALA 78 CO -0.15 0.49 0.11 -0.09 0.00 0.00 0.00 179.25 179.62 2fup h ARG 79 N 0.97 0.66 -0.73 0.00 9.65 -0.65 -1.31 114.38 122.97 2fup h ARG 79 Ca 0.26 -0.15 0.05 0.00 -1.10 0.00 0.00 59.98 59.03 2fup h ARG 79 Cb -0.06 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.37 2fup h ARG 79 CO -0.05 0.67 0.44 -0.92 2.80 0.00 0.00 179.97 182.91 2fup h TYR 80 N 0.54 0.81 0.00 2.20 3.20 -0.54 -3.00 116.97 120.18 2fup h TYR 80 Ca 0.13 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 2fup h TYR 80 Cb 0.30 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2fup h TYR 80 CO 0.02 0.42 -0.17 0.00 -1.64 0.00 0.00 178.16 176.78 2fup h ALA 81 N 1.35 0.96 -0.59 1.82 0.00 -0.69 -3.40 119.26 118.71 2fup h ALA 81 Ca 0.32 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.19 2fup h ALA 81 Cb 0.14 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.80 2fup h ALA 81 CO -0.16 0.21 -0.03 -0.09 0.00 0.00 0.00 179.25 179.18 2fup h ARG 82 N 0.00 0.08 -0.64 0.00 2.43 -1.09 -0.77 114.38 114.39 2fup h ARG 82 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2fup h ARG 82 Cb 0.85 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2fup h ARG 82 CO 0.02 0.06 0.00 0.39 -1.51 0.00 0.00 179.97 178.93 2fup n GLU 83 N -5.30 3.48 -3.83 0.20 -0.58 -1.26 -4.97 120.64 108.37 2fup n GLU 83 Ca 0.08 -2.80 -0.37 0.00 -0.42 0.00 0.00 57.16 53.64 2fup n GLU 83 Cb 0.33 -1.80 -0.06 0.00 -0.57 0.00 0.00 31.44 29.35 2fup n GLU 83 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2fup s ARG 84 N -1.67 3.53 0.51 3.49 0.52 -0.30 -4.94 118.95 120.09 2fup s ARG 84 Ca 0.49 -0.07 0.16 0.00 -0.52 0.00 0.00 55.73 55.79 2fup s ARG 84 Cb 0.30 -3.20 1.26 0.00 0.52 0.00 0.00 34.95 33.82 2fup s ARG 84 CO 0.25 0.75 2.14 0.00 0.02 0.00 0.00 175.30 178.45 2fup h ALA 85 N 5.03 2.02 -0.40 2.13 0.00 -1.86 -0.97 119.26 125.21 2fup h ALA 85 Ca -0.54 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2fup h ALA 85 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2fup h ALA 85 CO 0.59 -0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.42 2fup n ASP 86 N -4.53 2.30 -0.20 0.00 5.68 -1.26 -4.52 116.55 114.02 2fup n ASP 86 Ca -0.02 -1.95 -0.08 0.00 -0.50 0.00 0.00 54.79 52.24 2fup n ASP 86 Cb 0.12 -0.26 0.02 0.00 -1.14 0.00 0.00 41.12 39.86 2fup n ASP 86 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2fup h GLY 87 N 5.01 0.95 1.31 6.12 0.00 -1.34 -0.24 103.07 114.88 2fup h GLY 87 Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 2fup h GLY 87 CO 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 176.54 177.05 2fup h ALA 88 N 1.04 1.05 -0.41 3.60 0.00 -1.80 -1.35 119.26 121.39 2fup h ALA 88 Ca 0.18 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2fup h ALA 88 Cb 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2fup h ALA 88 CO -0.01 0.59 -0.05 0.93 0.00 0.00 0.00 179.25 180.72 2fup h GLU 89 N 0.77 0.76 -0.41 0.00 4.39 -1.76 -1.10 114.58 117.23 2fup h GLU 89 Ca 0.15 -0.27 0.08 0.00 0.34 0.00 0.00 59.36 59.66 2fup h GLU 89 Cb 0.49 -0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 28.99 2fup h GLU 89 CO 0.02 0.86 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.49 2fup h LEU 90 N 0.58 -0.61 -0.32 1.33 3.38 -0.60 -0.12 115.31 118.96 2fup h LEU 90 Ca 0.11 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2fup h LEU 90 Cb 0.56 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2fup h LEU 90 CO 0.03 -0.21 0.13 -0.07 0.09 0.00 0.00 178.44 178.41 2fup h LEU 91 N -0.10 0.43 -0.37 1.67 3.38 -1.10 0.63 115.31 119.85 2fup h LEU 91 Ca 0.20 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2fup h LEU 91 Cb 0.40 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2fup h LEU 91 CO -0.47 0.47 0.23 0.00 0.09 0.00 0.00 178.44 178.76 2fup h ALA 92 N 0.98 0.48 -0.48 1.53 0.00 -1.01 -1.14 119.26 119.61 2fup h ALA 92 Ca 0.11 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2fup h ALA 92 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2fup h ALA 92 CO -0.01 -0.04 -0.17 0.00 0.00 0.00 0.00 179.25 179.03 2fup h ARG 93 N 0.49 0.97 -0.75 0.00 2.47 -0.93 -1.19 114.38 115.43 2fup h ARG 93 Ca 0.14 -0.39 0.04 0.00 -1.26 0.00 0.00 59.98 58.51 2fup h ARG 93 Cb -0.02 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.21 2fup h ARG 93 CO -0.03 1.06 0.46 0.78 0.56 0.00 0.00 179.97 182.81 2fup h GLY 94 N 0.82 1.11 1.30 0.04 0.00 -0.63 -0.05 103.07 105.66 2fup h GLY 94 Ca 0.12 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 2fup h GLY 94 CO 0.06 0.26 -0.39 -0.55 0.00 0.00 0.00 176.54 175.92 2fup h ASP 95 N 0.88 0.82 -0.36 0.19 3.32 -1.03 -1.27 116.42 118.96 2fup h ASP 95 Ca 0.32 -0.37 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 2fup h ASP 95 Cb 0.09 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2fup h ASP 95 CO -0.14 1.11 0.13 -0.08 -1.72 0.00 0.00 179.24 178.55 2fup h GLU 96 N 0.63 0.55 -0.67 3.56 4.81 -0.93 -2.11 114.58 120.42 2fup h GLU 96 Ca 0.05 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2fup h GLU 96 Cb 0.94 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.19 2fup h GLU 96 CO 0.09 0.55 0.41 1.25 -0.73 0.00 0.00 179.01 180.57 2fup h LEU 97 N 0.44 0.65 -1.06 1.64 5.85 -0.91 -0.92 115.31 121.00 2fup h LEU 97 Ca 0.12 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.86 2fup h LEU 97 Cb 0.21 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 2fup h LEU 97 CO -0.01 0.45 0.64 1.23 -0.34 0.00 0.00 178.44 180.41 2fup h GLY 98 N 0.79 1.36 0.93 3.75 0.00 -1.05 0.25 103.07 109.09 2fup h GLY 98 Ca 0.28 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 2fup h GLY 98 CO -0.12 0.48 0.05 -2.09 0.00 0.00 0.00 176.54 174.86 2fup h GLU 99 N 1.29 0.64 -0.69 4.80 4.81 -1.03 -2.21 114.58 122.19 2fup h GLU 99 Ca 0.36 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 2fup h GLU 99 Cb -0.13 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 2fup h GLU 99 CO -0.08 0.70 0.13 -0.07 -0.73 0.00 0.00 179.01 178.96 2fup h LEU 100 N 0.48 1.07 -0.92 1.64 3.38 -0.58 -0.50 115.31 119.87 2fup h LEU 100 Ca 0.11 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 2fup h LEU 100 Cb 0.38 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2fup h LEU 100 CO 0.01 1.05 0.03 -0.07 0.09 0.00 0.00 178.44 179.55 2fup h LEU 101 N 1.05 0.79 -0.40 1.67 3.38 -0.87 -0.13 115.31 120.80 2fup h LEU 101 Ca 0.21 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2fup h LEU 101 Cb 0.42 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2fup h LEU 101 CO 0.01 0.83 -0.15 -0.08 0.09 0.00 0.00 178.44 179.14 2fup h GLU 102 N 0.77 0.82 -0.55 1.13 4.81 -0.97 -0.54 114.58 120.05 2fup h GLU 102 Ca 0.15 -0.34 0.02 0.00 -0.13 0.00 0.00 59.36 59.07 2fup h GLU 102 Cb 0.42 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 2fup h GLU 102 CO 0.01 0.97 0.34 0.00 -0.73 0.00 0.00 179.01 179.60 2fup h ARG 103 N 0.63 0.65 -0.40 1.92 3.08 -0.72 -0.67 114.38 118.86 2fup h ARG 103 Ca 0.09 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.13 2fup h ARG 103 Cb 0.70 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 2fup h ARG 103 CO 0.05 0.43 0.21 0.00 -1.07 0.00 0.00 179.97 179.60 2fup h GLN 105 N 0.44 0.66 -0.51 0.00 4.15 -0.60 -0.48 115.11 118.77 2fup h GLN 105 Ca 0.17 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 2fup h GLN 105 Cb 0.05 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 2fup h GLN 105 CO -0.10 0.45 0.14 1.96 -1.93 0.00 0.00 178.83 179.36 2fup h GLN 106 N 0.66 0.80 -0.31 1.69 1.08 -0.99 -1.12 115.11 116.93 2fup h GLN 106 Ca 0.18 -0.18 -0.11 0.00 -1.45 0.00 0.00 58.65 57.08 2fup h GLN 106 Cb -0.05 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 2fup h GLN 106 CO -0.04 0.75 -0.28 0.00 -0.95 0.00 0.00 178.83 178.32 2fup h ALA 107 N 1.01 0.94 -0.42 3.87 0.00 -0.94 -0.86 119.26 122.86 2fup h ALA 107 Ca 0.16 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 2fup h ALA 107 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2fup h ALA 107 CO -0.00 0.61 -0.31 -0.97 0.00 0.00 0.00 179.25 178.58 2fup h ASN 108 N 0.54 1.00 -0.82 0.00 -1.24 -0.93 -1.91 115.58 112.23 2fup h ASN 108 Ca 0.07 -0.42 0.00 0.00 0.71 0.00 0.00 56.30 56.66 2fup h ASN 108 Cb 0.76 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 39.49 2fup h ASN 108 CO 0.06 1.22 0.53 -0.07 -1.29 0.00 0.00 177.43 177.88 2fup h LEU 109 N 0.80 0.95 -0.63 0.34 3.38 -0.86 0.11 115.31 119.41 2fup h LEU 109 Ca 0.08 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2fup h LEU 109 Cb 0.90 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 2fup h LEU 109 CO 0.08 0.70 0.37 -0.09 0.09 0.00 0.00 178.44 179.59 2fup h ARG 110 N 1.11 0.68 -0.15 1.13 2.43 -0.96 -1.33 114.38 117.29 2fup h ARG 110 Ca 0.30 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 2fup h ARG 110 Cb -0.10 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 2fup h ARG 110 CO -0.06 0.45 0.07 -0.91 -1.51 0.00 0.00 179.97 178.01 2fup h ASN 111 N 0.71 0.20 -0.93 -3.80 4.21 -0.61 -3.07 115.58 112.29 2fup h ASN 111 Ca 0.27 -0.15 0.12 0.00 1.21 0.00 0.00 56.30 57.75 2fup h ASN 111 Cb 0.09 -0.05 -0.08 0.00 -1.12 0.00 0.00 38.32 37.15 2fup h ASN 111 CO -0.14 0.29 0.55 1.23 -1.29 0.00 0.00 177.43 178.08 2fup h GLY 112 N 0.10 1.51 2.00 2.83 0.00 -0.60 0.02 103.07 108.94 2fup h GLY 112 Ca 0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 2fup h GLY 112 CO -0.01 0.10 -0.15 3.21 0.00 0.00 0.00 176.54 179.69 2fup h ARG 113 N 0.86 0.00 0.00 4.80 -0.00 -1.17 -3.51 114.38 115.35 2fup h ARG 113 Ca 0.47 0.00 -0.14 0.00 -0.50 0.00 0.00 59.98 59.81 2fup h ARG 113 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.46 2fup h ARG 113 CO -0.29 0.15 -0.69 0.82 0.00 0.00 0.00 179.97 179.97 2fup h ILE 114 N 0.00 1.28 0.00 2.04 2.04 -0.90 -3.52 117.51 118.45 2fup h ILE 114 Ca -0.00 -2.56 0.00 0.00 1.00 0.00 0.00 64.86 63.30 2fup h ILE 114 Cb 0.28 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 2fup h ILE 114 CO 0.02 0.68 0.00 0.00 0.00 0.00 0.00 178.15 178.85 2fup n ALA 117 N -2.31 0.00 0.89 1.87 0.00 -1.26 -4.97 120.51 114.73 2fup n ALA 117 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.55 2fup n ALA 117 Cb 0.76 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.71 2fup n ALA 117 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2fup n ASN 118 N 0.00 0.00 -0.13 0.00 3.02 -1.26 -2.11 115.26 114.78 2fup n ASN 118 Ca 0.00 0.19 0.09 0.00 -0.03 0.00 0.00 54.58 54.82 2fup n ASN 118 Cb 0.00 -0.37 -0.07 0.00 -0.61 0.00 0.00 39.78 38.73 2fup n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fup n GLN 119 N -1.37 1.31 0.31 3.52 3.00 -1.26 -4.74 117.38 118.14 2fup n GLN 119 Ca 0.08 -0.27 -0.12 0.00 -0.01 0.00 0.00 57.00 56.68 2fup n GLN 119 Cb 0.20 -1.33 -0.06 0.00 0.00 0.00 0.00 30.24 29.05 2fup n GLN 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2fup h ALA 120 N 2.70 -1.18 -0.48 -1.58 0.00 -1.85 -0.48 119.26 116.39 2fup h ALA 120 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2fup h ALA 120 Cb 0.48 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2fup h ALA 120 CO 0.00 -1.13 0.27 0.66 0.00 0.00 0.00 179.25 179.05 2fup h SER 121 N -0.80 0.58 -0.30 0.00 4.64 -1.86 0.92 113.55 116.73 2fup h SER 121 Ca -0.08 -0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.22 2fup h SER 121 Cb 0.60 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 2fup h SER 121 CO 0.13 0.47 0.16 0.74 -0.87 0.00 0.00 176.83 177.47 2fup h THR 122 N 0.67 1.02 -0.11 2.95 2.02 -1.84 -1.50 112.91 116.11 2fup h THR 122 Ca 0.17 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 2fup h THR 122 Cb 0.02 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 2fup h THR 122 CO -0.03 0.06 0.03 1.23 0.37 0.00 0.00 175.52 177.18 2fup h GLY 123 N 0.34 0.19 0.51 2.16 0.00 0.72 -1.77 103.07 105.22 2fup h GLY 123 Ca 0.12 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.36 2fup h GLY 123 CO -0.07 0.11 -0.22 1.76 0.00 0.00 0.00 176.54 178.13 2fup h SER 124 N -0.02 -0.63 -0.88 0.19 0.02 -0.89 -0.76 113.55 110.57 2fup h SER 124 Ca 0.04 0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 2fup h SER 124 Cb 0.25 0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.99 2fup h SER 124 CO 0.00 -0.29 0.56 0.25 -1.14 0.00 0.00 176.83 176.22 2fup h LEU 125 N -0.35 0.92 -0.66 5.07 5.85 -1.15 -0.73 115.31 124.26 2fup h LEU 125 Ca 0.05 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.64 2fup h LEU 125 Cb 0.42 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2fup h LEU 125 CO -0.19 0.61 -0.47 -0.07 -0.34 0.00 0.00 178.44 177.99 2fup h LEU 126 N 1.07 0.53 0.16 2.25 3.38 -1.16 -0.11 115.31 121.42 2fup h LEU 126 Ca 0.36 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2fup h LEU 126 Cb 0.07 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2fup h LEU 126 CO -0.14 0.92 -0.20 0.78 0.09 0.00 0.00 178.44 179.88 2fup h ASN 127 N 0.39 -0.55 -0.08 -0.43 2.35 -0.34 -1.42 115.58 115.49 2fup h ASN 127 Ca 0.02 0.06 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 2fup h ASN 127 Cb 0.97 0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.51 2fup h ASN 127 CO 0.09 -0.29 -0.11 0.40 -1.65 0.00 0.00 177.43 175.86 2fup h ILE 128 N -0.41 0.70 0.00 2.81 2.04 -0.96 -2.94 117.51 118.75 2fup h ILE 128 Ca 0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 2fup h ILE 128 Cb 0.41 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2fup h ILE 128 CO -0.08 0.00 -0.16 -0.07 0.00 0.00 0.00 178.15 177.84 2fup h LEU 129 N -0.15 0.00 -1.20 1.44 3.38 -0.90 -3.52 115.31 114.37 2fup h LEU 129 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2fup h LEU 129 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2fup h LEU 129 CO -0.17 0.16 0.00 -1.14 0.09 0.00 0.00 178.44 177.38