#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nbp h THR 7 N 0.00 1.36 -0.51 2.46 2.02 -1.99 -2.81 112.91 113.44 1nbp h THR 7 Ca 0.00 -1.94 -0.12 0.00 0.77 0.00 0.00 66.41 65.12 1nbp h THR 7 Cb 0.00 1.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 1nbp h THR 7 CO 0.00 0.59 -0.16 0.11 0.37 0.00 0.00 175.52 176.42 1nbp h LYS 8 N 0.29 0.99 -0.66 6.66 1.57 -1.99 -1.51 116.57 121.92 1nbp h LYS 8 Ca -0.01 -0.39 -0.06 0.00 -1.87 0.00 0.00 60.65 58.32 1nbp h LYS 8 Cb 1.14 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 1nbp h LYS 8 CO 0.10 1.07 0.18 -0.22 -0.57 0.00 0.00 179.45 180.01 1nbp h LYS 9 N 0.87 1.05 -0.15 3.15 3.64 -1.99 -1.33 116.57 121.81 1nbp h LYS 9 Ca 0.12 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1nbp h LYS 9 Cb 0.73 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1nbp h LYS 9 CO 0.06 0.93 0.05 1.15 -2.27 0.00 0.00 179.45 179.37 1nbp h THR 10 N 0.98 1.17 -0.58 1.00 2.02 -1.40 -2.38 112.91 113.72 1nbp h THR 10 Ca 0.21 -0.52 0.07 0.00 0.77 0.00 0.00 66.41 66.94 1nbp h THR 10 Cb 0.34 1.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.93 1nbp h THR 10 CO -0.00 0.16 0.25 -0.61 0.37 0.00 0.00 175.52 175.69 1nbp h GLN 11 N 0.07 0.46 -0.88 6.66 4.15 -1.16 -1.92 115.11 122.49 1nbp h GLN 11 Ca 0.05 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1nbp h GLN 11 Cb 0.20 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.74 1nbp h GLN 11 CO -0.00 0.30 0.54 1.25 -1.93 0.00 0.00 178.83 178.99 1nbp h LEU 12 N 0.47 1.05 -0.48 -2.39 6.46 -1.11 -1.22 115.31 118.09 1nbp h LEU 12 Ca 0.28 -0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.95 1nbp h LEU 12 Cb 0.27 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 1nbp h LEU 12 CO -0.24 0.80 0.20 1.56 -0.62 0.00 0.00 178.44 180.14 1nbp h GLN 13 N 1.21 0.71 -0.29 1.25 4.20 -1.03 -1.82 115.11 119.34 1nbp h GLN 13 Ca 0.32 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.84 1nbp h GLN 13 Cb -0.06 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1nbp h GLN 13 CO -0.06 0.63 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.56 1nbp h LEU 14 N 0.63 0.46 -0.43 1.46 3.38 -0.98 -1.00 115.31 118.83 1nbp h LEU 14 Ca 0.16 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 1nbp h LEU 14 Cb 0.18 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1nbp h LEU 14 CO -0.01 0.59 -0.49 -0.33 0.09 0.00 0.00 178.44 178.29 1nbp h GLU 15 N 0.45 0.77 -0.48 1.13 5.08 -1.05 0.17 114.58 120.64 1nbp h GLU 15 Ca 0.09 -0.45 -0.09 0.00 -1.00 0.00 0.00 59.36 57.90 1nbp h GLU 15 Cb 0.44 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1nbp h GLU 15 CO 0.02 1.08 -0.07 0.45 -1.00 0.00 0.00 179.01 179.49 1nbp h HIS 16 N 0.60 0.92 -0.35 4.33 3.86 -1.11 -1.58 115.15 121.83 1nbp h HIS 16 Ca 0.03 -0.16 -0.04 0.00 -1.16 0.00 0.00 60.37 59.03 1nbp h HIS 16 Cb 1.07 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 1nbp h HIS 16 CO 0.06 0.88 0.05 1.25 0.86 0.00 0.00 177.93 181.02 1nbp h LEU 17 N 0.77 0.57 -0.31 2.43 5.85 -0.95 -1.60 115.31 122.07 1nbp h LEU 17 Ca 0.13 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1nbp h LEU 17 Cb 0.57 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1nbp h LEU 17 CO 0.03 0.69 -0.04 0.25 -0.34 0.00 0.00 178.44 179.04 1nbp h LEU 18 N 0.42 -0.21 -0.98 2.25 5.85 -0.52 -1.45 115.31 120.68 1nbp h LEU 18 Ca 0.11 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 1nbp h LEU 18 Cb 0.37 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1nbp h LEU 18 CO 0.01 -0.07 -0.38 -0.07 -0.34 0.00 0.00 178.44 177.59 1nbp h LEU 19 N 0.04 0.26 -0.45 2.25 3.38 -1.19 -1.05 115.31 118.56 1nbp h LEU 19 Ca 0.15 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1nbp h LEU 19 Cb 0.21 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1nbp h LEU 19 CO -0.28 0.62 0.14 0.44 0.09 0.00 0.00 178.44 179.45 1nbp h ASP 20 N 0.21 0.65 -0.40 -0.43 3.32 -0.97 -1.94 116.42 116.86 1nbp h ASP 20 Ca 0.02 -0.21 -0.12 0.00 0.02 0.00 0.00 57.03 56.74 1nbp h ASP 20 Cb 0.78 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1nbp h ASP 20 CO 0.06 0.69 -0.21 -0.07 -1.72 0.00 0.00 179.24 177.99 1nbp h LEU 21 N 0.58 0.89 -1.09 1.55 3.38 -0.94 -2.62 115.31 117.06 1nbp h LEU 21 Ca 0.14 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1nbp h LEU 21 Cb 0.27 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1nbp h LEU 21 CO -0.00 1.10 0.16 1.56 0.09 0.00 0.00 178.44 181.35 1nbp h GLN 22 N 0.67 0.80 -0.65 1.13 4.20 -1.21 -2.18 115.11 117.88 1nbp h GLN 22 Ca 0.09 -0.15 0.03 0.00 0.06 0.00 0.00 58.65 58.69 1nbp h GLN 22 Cb 0.77 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 1nbp h GLN 22 CO 0.06 0.70 0.40 1.98 -0.67 0.00 0.00 178.83 181.30 1nbp h MET 23 N 0.78 0.74 -0.03 1.46 4.05 -1.12 0.13 114.93 120.95 1nbp h MET 23 Ca 0.18 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 1nbp h MET 23 Cb 0.24 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1nbp h MET 23 CO -0.01 0.49 -0.00 0.82 0.23 0.00 0.00 176.91 178.44 1nbp h ILE 24 N 0.77 1.26 -0.36 1.77 2.04 -1.13 -0.93 117.51 120.93 1nbp h ILE 24 Ca 0.27 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.38 1nbp h ILE 24 Cb 0.06 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 1nbp h ILE 24 CO -0.12 0.21 0.14 0.25 0.00 0.00 0.00 178.15 178.63 1nbp h LEU 25 N -0.26 0.18 -1.13 1.44 5.85 -1.25 0.67 115.31 120.80 1nbp h LEU 25 Ca 0.01 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1nbp h LEU 25 Cb 0.34 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1nbp h LEU 25 CO 0.00 0.14 0.20 0.78 -0.34 0.00 0.00 178.44 179.22 1nbp h ASN 26 N 0.31 0.74 -0.55 1.25 2.35 -0.74 0.71 115.58 119.65 1nbp h ASN 26 Ca 0.16 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 1nbp h ASN 26 Cb 0.11 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1nbp h ASN 26 CO -0.14 0.68 -0.05 1.23 -1.65 0.00 0.00 177.43 177.50 1nbp h GLY 27 N 0.94 1.10 1.01 2.83 0.00 -0.64 -3.12 103.07 105.19 1nbp h GLY 27 Ca 0.19 -0.84 -0.14 0.00 0.00 0.00 0.00 47.33 46.54 1nbp h GLY 27 CO -0.01 0.77 -0.37 -2.22 0.00 0.00 0.00 176.54 174.71 1nbp h ILE 28 N 0.92 1.30 0.00 2.60 2.04 -0.45 -3.06 117.51 120.86 1nbp h ILE 28 Ca 0.16 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.46 1nbp h ILE 28 Cb 0.60 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1nbp h ILE 28 CO 0.04 0.50 0.02 0.78 0.00 0.00 0.00 178.15 179.49 1nbp h ASN 29 N 0.49 0.00 -0.36 1.72 2.35 -0.86 -0.89 115.58 118.03 1nbp h ASN 29 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1nbp h ASN 29 Cb 0.96 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1nbp h ASN 29 CO 0.09 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.46 1nbp n ASN 30 N -2.50 3.40 -4.77 5.81 3.02 -1.16 -4.95 115.26 114.12 1nbp n ASN 30 Ca -0.02 -1.99 -0.35 0.00 -0.03 0.00 0.00 54.58 52.20 1nbp n ASN 30 Cb 0.06 -0.23 0.02 0.00 -0.61 0.00 0.00 39.78 39.03 1nbp n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nbp s LYS 32 N -3.56 3.73 0.22 0.00 1.02 -1.26 -4.76 119.74 115.13 1nbp s LYS 32 Ca 0.72 1.80 -0.08 0.00 0.02 0.00 0.00 55.97 58.43 1nbp s LYS 32 Cb -0.24 -2.41 0.30 0.00 -0.52 0.00 0.00 37.83 34.97 1nbp s LYS 32 CO 0.33 -0.58 1.78 -0.91 -0.92 0.00 0.00 175.35 175.05 1nbp h ASN 33 N 2.04 0.47 -0.53 2.83 2.35 -1.98 0.13 115.58 120.89 1nbp h ASN 33 Ca -0.49 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.28 1nbp h ASN 33 Cb 1.25 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.56 1nbp h ASN 33 CO 0.60 0.28 0.24 -0.65 -1.65 0.00 0.00 177.43 176.25 1nbp h PRO 34 N 0.61 0.78 -0.46 0.81 0.11 -1.99 -0.04 132.00 131.82 1nbp h PRO 34 Ca 0.33 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 1nbp h PRO 34 Cb 0.32 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 1nbp h PRO 34 CO -0.24 0.66 0.26 -0.22 -0.21 0.00 0.00 178.00 178.24 1nbp h LYS 35 N 0.71 0.64 -0.48 1.05 1.63 -1.79 -2.86 116.57 115.47 1nbp h LYS 35 Ca 0.18 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1nbp h LYS 35 Cb 0.15 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 1nbp h LYS 35 CO -0.02 0.50 0.25 1.25 -3.45 0.00 0.00 179.45 177.98 1nbp h LEU 36 N 0.61 0.61 -0.77 5.20 5.85 -0.64 -1.77 115.31 124.41 1nbp h LEU 36 Ca 0.16 -0.11 0.14 0.00 0.84 0.00 0.00 57.88 58.92 1nbp h LEU 36 Cb 0.04 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 40.82 1nbp h LEU 36 CO -0.03 0.54 0.33 0.74 -0.34 0.00 0.00 178.44 179.69 1nbp h THR 37 N 0.64 0.68 -0.44 1.05 2.02 -0.91 -0.56 112.91 115.39 1nbp h THR 37 Ca 0.17 -0.17 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 1nbp h THR 37 Cb 0.08 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1nbp h THR 37 CO -0.02 0.09 -0.24 0.03 0.37 0.00 0.00 175.52 175.75 1nbp h ARG 38 N 0.49 0.90 0.00 6.66 3.08 -1.25 -2.95 114.38 121.31 1nbp h ARG 38 Ca 0.42 -0.39 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1nbp h ARG 38 Cb 0.62 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1nbp h ARG 38 CO -0.39 1.04 -0.21 0.52 -1.07 0.00 0.00 179.97 179.86 1nbp h MET 39 N 0.78 0.00 -0.00 0.04 2.86 -0.38 -2.57 114.93 115.65 1nbp h MET 39 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1nbp h MET 39 Cb 0.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.45 1nbp h MET 39 CO 0.07 0.21 -0.08 1.28 1.06 0.00 0.00 176.91 179.44 1nbp n LEU 40 N -3.89 0.15 0.23 1.22 4.77 -0.33 -3.29 117.00 115.87 1nbp n LEU 40 Ca -0.02 0.30 0.14 0.00 -0.03 0.00 0.00 56.01 56.40 1nbp n LEU 40 Cb 0.30 -0.36 0.37 0.00 -2.33 0.00 0.00 43.42 41.41 1nbp n LEU 40 CO 0.34 0.03 0.88 0.71 -1.33 0.00 0.00 177.39 178.02 1nbp h THR 41 N 0.10 0.00 -3.53 -5.08 1.35 -1.47 -3.44 112.91 100.84 1nbp h THR 41 Ca 0.00 -0.78 -0.52 0.00 -0.55 0.00 0.00 66.41 64.57 1nbp h THR 41 Cb 0.42 1.77 0.01 0.00 -1.73 0.00 0.00 68.15 68.62 1nbp h THR 41 CO 0.00 0.00 0.51 -0.36 -0.25 0.00 0.00 175.52 175.42 1nbp s PHE 42 N -3.37 3.53 -0.05 4.73 0.40 -1.21 -5.01 117.98 117.01 1nbp s PHE 42 Ca 0.05 1.53 -0.19 0.00 -0.60 0.00 0.00 56.93 57.72 1nbp s PHE 42 Cb 0.07 -3.33 -0.05 0.00 0.51 0.00 0.00 43.02 40.22 1nbp s PHE 42 CO 0.61 -0.83 0.53 0.15 0.70 0.00 0.00 175.22 176.39 1nbp s LYS 43 N -0.29 4.27 0.03 0.44 1.02 -1.26 -4.24 119.74 119.71 1nbp s LYS 43 Ca 0.51 0.59 0.08 0.00 0.02 0.00 0.00 55.97 57.17 1nbp s LYS 43 Cb -0.30 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.62 1nbp s LYS 43 CO 0.35 0.33 -0.24 -0.06 -0.92 0.00 0.00 175.35 174.81 1nbp s PHE 44 N 0.02 2.15 -0.16 3.18 0.08 0.12 -4.93 117.98 118.43 1nbp s PHE 44 Ca 0.28 -0.40 -0.10 0.00 0.12 0.00 0.00 56.93 56.83 1nbp s PHE 44 Cb -0.17 -1.30 -0.05 0.00 -0.57 0.00 0.00 43.02 40.93 1nbp s PHE 44 CO 0.14 0.09 0.17 0.71 -0.10 0.00 0.00 175.22 176.23 1nbp s TYR 45 N -0.76 3.48 -0.01 0.36 2.02 -1.26 -0.62 117.35 120.56 1nbp s TYR 45 Ca 0.10 0.46 0.01 0.00 -0.37 0.00 0.00 57.07 57.27 1nbp s TYR 45 Cb -0.10 -2.14 -0.04 0.00 -0.40 0.00 0.00 41.96 39.28 1nbp s TYR 45 CO 0.01 0.41 0.02 -1.64 -1.57 0.00 0.00 175.55 172.78 1nbp s MET 46 N -0.03 2.86 0.41 -0.62 -1.94 -1.26 -4.97 119.30 113.74 1nbp s MET 46 Ca 0.12 -0.57 -0.25 0.00 -1.71 0.00 0.00 55.69 53.28 1nbp s MET 46 Cb -0.12 -2.72 -0.08 0.00 2.01 0.00 0.00 34.83 33.92 1nbp s MET 46 CO 0.01 0.64 1.24 -1.25 -0.01 0.00 0.00 175.02 175.65 1nbp s PRO 47 N -1.54 3.97 0.17 2.03 0.04 -1.26 -0.47 135.00 137.94 1nbp s PRO 47 Ca 0.20 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 63.14 1nbp s PRO 47 Cb -0.12 -2.70 0.07 0.00 0.04 0.00 0.00 34.50 31.79 1nbp s PRO 47 CO 0.10 -0.44 1.67 -0.22 0.04 0.00 0.00 177.00 178.16 1nbp h LYS 48 N 2.61 0.99 -3.53 4.56 3.64 -1.18 -3.40 116.57 120.26 1nbp h LYS 48 Ca -0.49 -0.25 -0.25 0.00 -1.27 0.00 0.00 60.65 58.38 1nbp h LYS 48 Cb 1.24 -0.12 -0.30 0.00 -0.41 0.00 0.00 32.23 32.64 1nbp h LYS 48 CO 0.62 0.92 -0.68 0.21 -2.27 0.00 0.00 179.45 178.25 1nbp s LYS 49 N -5.24 0.03 -0.31 1.90 2.20 -1.26 -4.94 119.74 112.11 1nbp s LYS 49 Ca -0.12 0.16 -0.02 0.00 -0.36 0.00 0.00 55.97 55.62 1nbp s LYS 49 Cb 0.13 -0.10 0.12 0.00 -1.51 0.00 0.00 37.83 36.47 1nbp s LYS 49 CO 0.83 -0.09 0.19 0.00 -0.36 0.00 0.00 175.35 175.92 1nbp s ALA 50 N 0.57 0.46 0.00 3.13 0.00 -1.26 -4.93 121.76 119.73 1nbp s ALA 50 Ca -0.05 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1nbp s ALA 50 Cb -0.06 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.52 1nbp s ALA 50 CO -0.02 -1.79 0.00 0.25 0.00 0.00 0.00 175.76 174.20 1nbp n THR 51 N 4.93 0.00 -4.28 0.00 -2.24 -1.26 -4.91 114.28 106.52 1nbp n THR 51 Ca -0.00 -0.09 -0.17 0.00 -2.27 0.00 0.00 64.05 61.52 1nbp n THR 51 Cb 0.42 0.83 -0.11 0.00 -2.10 0.00 0.00 70.33 69.37 1nbp n THR 51 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1nbp s GLU 52 N -0.25 1.14 0.42 -0.78 2.02 -1.26 -4.96 118.70 115.02 1nbp s GLU 52 Ca 0.00 -1.40 0.11 0.00 0.02 0.00 0.00 54.97 53.69 1nbp s GLU 52 Cb 0.00 -0.93 0.95 0.00 0.10 0.00 0.00 34.13 34.25 1nbp s GLU 52 CO 0.00 0.16 2.01 -0.07 0.02 0.00 0.00 175.26 177.38 1nbp h LEU 53 N 3.05 0.43 -1.79 1.80 3.38 -1.96 -1.84 115.31 118.37 1nbp h LEU 53 Ca -0.39 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1nbp h LEU 53 Cb 1.20 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1nbp h LEU 53 CO 0.57 0.28 -0.13 0.07 0.09 0.00 0.00 178.44 179.32 1nbp h LYS 54 N 0.49 0.00 0.00 1.13 2.10 -1.89 -2.19 116.57 116.21 1nbp h LYS 54 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 1nbp h LYS 54 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1nbp h LYS 54 CO -0.06 0.13 0.00 0.72 -2.00 0.00 0.00 179.45 178.23 1nbp n HIS 55 N -3.54 0.34 0.22 0.07 8.25 -0.69 -2.40 115.22 117.47 1nbp n HIS 55 Ca -0.01 0.14 0.09 0.00 -0.26 0.00 0.00 57.72 57.68 1nbp n HIS 55 Cb 0.27 -0.72 0.46 0.00 1.12 0.00 0.00 29.99 31.11 1nbp n HIS 55 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1nbp n LEU 56 N -1.82 0.47 -0.30 2.41 4.77 -0.82 -1.29 117.00 120.42 1nbp n LEU 56 Ca 0.03 0.68 0.11 0.00 -0.03 0.00 0.00 56.01 56.80 1nbp n LEU 56 Cb 0.18 -0.70 0.34 0.00 -2.33 0.00 0.00 43.42 40.91 1nbp n LEU 56 CO 0.15 -0.75 1.22 -0.61 -1.33 0.00 0.00 177.39 176.07 1nbp h GLN 57 N 0.00 0.75 -0.08 3.23 5.75 -1.71 0.02 115.11 123.08 1nbp h GLN 57 Ca 0.00 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 1nbp h GLN 57 Cb 0.11 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 1nbp h GLN 57 CO 0.00 0.50 -0.12 0.00 -2.65 0.00 0.00 178.83 176.55 1nbp h LEU 59 N 0.11 0.40 -0.78 0.00 5.85 -1.29 -3.32 115.31 116.28 1nbp h LEU 59 Ca 0.02 -0.83 0.13 0.00 0.84 0.00 0.00 57.88 58.04 1nbp h LEU 59 Cb 0.29 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 1nbp h LEU 59 CO 0.02 1.19 0.38 -0.08 -0.34 0.00 0.00 178.44 179.60 1nbp h GLU 60 N -0.34 0.55 0.00 1.25 4.81 -0.75 -1.64 114.58 118.46 1nbp h GLU 60 Ca -0.08 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 1nbp h GLU 60 Cb 1.30 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1nbp h GLU 60 CO 0.10 0.37 -0.28 0.93 -0.73 0.00 0.00 179.01 179.40 1nbp h GLU 61 N 0.57 0.00 -0.14 1.92 5.08 -1.53 -2.81 114.58 117.68 1nbp h GLU 61 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1nbp h GLU 61 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1nbp h GLU 61 CO -0.35 0.28 0.00 0.39 -1.00 0.00 0.00 179.01 178.34 1nbp n GLU 62 N -3.81 1.95 0.09 2.33 -0.58 -0.64 -4.36 120.64 115.62 1nbp n GLU 62 Ca -0.01 -1.41 -0.04 0.00 -0.42 0.00 0.00 57.16 55.28 1nbp n GLU 62 Cb 0.37 -1.45 0.14 0.00 -0.57 0.00 0.00 31.44 29.92 1nbp n GLU 62 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1nbp h LEU 63 N 3.08 0.24 -0.08 -4.62 3.38 -1.21 -2.10 115.31 114.00 1nbp h LEU 63 Ca 0.00 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1nbp h LEU 63 Cb 0.67 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1nbp h LEU 63 CO 0.00 0.77 -0.02 0.11 0.09 0.00 0.00 178.44 179.39 1nbp h LYS 64 N 0.16 0.15 -1.00 1.13 1.57 -1.78 -0.53 116.57 116.26 1nbp h LYS 64 Ca -0.00 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1nbp h LYS 64 Cb 1.08 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.33 1nbp h LYS 64 CO 0.09 0.47 0.65 -1.35 -0.57 0.00 0.00 179.45 178.74 1nbp h PRO 65 N -0.19 1.22 -0.29 3.15 0.11 -1.84 -1.01 132.00 133.14 1nbp h PRO 65 Ca 0.02 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 66.07 1nbp h PRO 65 Cb 0.42 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 1nbp h PRO 65 CO 0.01 0.80 0.15 1.25 -0.21 0.00 0.00 178.00 180.00 1nbp h LEU 66 N 1.25 0.22 -0.66 2.35 5.85 -1.29 -1.63 115.31 121.41 1nbp h LEU 66 Ca 0.40 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.12 1nbp h LEU 66 Cb 0.01 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1nbp h LEU 66 CO -0.13 0.17 0.37 -0.08 -0.34 0.00 0.00 178.44 178.43 1nbp h GLU 67 N 0.31 0.91 0.12 1.25 4.81 -0.74 -2.30 114.58 118.94 1nbp h GLU 67 Ca 0.12 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1nbp h GLU 67 Cb 0.03 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1nbp h GLU 67 CO -0.08 0.68 -0.06 1.49 -0.73 0.00 0.00 179.01 180.31 1nbp h GLU 68 N 0.90 -0.15 -0.87 1.92 4.57 -0.95 -0.04 114.58 119.96 1nbp h GLU 68 Ca 0.23 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.44 1nbp h GLU 68 Cb 0.02 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 1nbp h GLU 68 CO -0.04 -0.07 0.57 0.28 -1.18 0.00 0.00 179.01 178.57 1nbp h VAL 69 N -0.20 1.20 -0.51 0.32 2.07 -1.23 0.14 116.25 118.05 1nbp h VAL 69 Ca -0.02 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1nbp h VAL 69 Cb 0.15 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 1nbp h VAL 69 CO 0.03 0.21 0.21 -0.07 0.02 0.00 0.00 177.57 177.97 1nbp h LEU 70 N 1.16 0.69 -0.67 2.57 3.38 -1.31 -2.55 115.31 118.59 1nbp h LEU 70 Ca 0.32 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.18 1nbp h LEU 70 Cb -0.10 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 1nbp h LEU 70 CO -0.08 0.67 0.38 0.78 0.09 0.00 0.00 178.44 180.28 1nbp h ASN 71 N 0.68 0.58 0.36 -0.43 -0.26 -0.28 -2.67 115.58 113.55 1nbp h ASN 71 Ca 0.17 0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.90 1nbp h ASN 71 Cb 0.18 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 1nbp h ASN 71 CO -0.02 0.38 -0.17 -0.07 -1.06 0.00 0.00 177.43 176.49 1nbp h LEU 72 N 0.71 0.00-10.12 1.61 3.38 -0.74 -3.42 115.31 106.74 1nbp h LEU 72 Ca 0.29 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.75 1nbp h LEU 72 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1nbp h LEU 72 CO -0.16 0.17 -0.13 0.00 0.09 0.00 0.00 178.44 178.41 1nbp s ALA 73 N -4.26 3.62 0.12 1.53 0.00 -0.98 -5.10 121.76 116.68 1nbp s ALA 73 Ca -0.03 -0.58 -0.23 0.00 0.00 0.00 0.00 51.96 51.12 1nbp s ALA 73 Cb 0.14 -2.30 0.06 0.00 0.00 0.00 0.00 23.12 21.02 1nbp s ALA 73 CO 0.63 0.20 0.58 1.14 0.00 0.00 0.00 175.76 178.32 1nbp s GLN 74 N -3.64 1.20 0.00 0.00 -2.07 -1.26 -4.90 119.66 108.99 1nbp s GLN 74 Ca 0.44 -0.37 0.00 0.00 -1.82 0.00 0.00 55.36 53.61 1nbp s GLN 74 Cb -0.11 0.55 0.00 0.00 -1.09 0.00 0.00 33.01 32.37 1nbp s GLN 74 CO 0.31 -0.50 0.00 0.34 -1.32 0.00 0.00 175.29 174.12 1nbp n PHE 78 N -0.11 0.00 0.45 9.60 7.35 -1.26 -5.12 117.46 128.37 1nbp n PHE 78 Ca -0.17 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.65 1nbp n PHE 78 Cb 0.63 0.00 0.42 0.00 0.35 0.00 0.00 39.48 40.89 1nbp n PHE 78 CO 0.00 0.00 0.00 1.12 -0.76 0.00 0.00 176.76 177.12 1nbp h HIS 79 N 0.00 0.00 -4.02 -5.13 2.07 -2.06 -3.44 115.15 102.57 1nbp h HIS 79 Ca 0.00 0.00 -0.69 0.00 -2.85 0.00 0.00 60.37 56.83 1nbp h HIS 79 Cb 0.00 0.00 -0.26 0.00 2.57 0.00 0.00 27.41 29.72 1nbp h HIS 79 CO 0.00 0.00 -0.81 -0.51 -3.07 0.00 0.00 177.93 173.54 1nbp s LEU 80 N -5.04 2.51 -0.17 6.12 1.43 -1.26 -5.11 118.68 117.17 1nbp s LEU 80 Ca 0.07 -0.31 -0.19 0.00 -1.03 0.00 0.00 54.13 52.67 1nbp s LEU 80 Cb 0.10 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 1nbp s LEU 80 CO 0.55 0.30 0.52 0.00 0.23 0.00 0.00 176.35 177.95 1nbp s ARG 81 N -0.46 4.25 0.27 1.70 1.04 -1.26 -4.99 118.95 119.50 1nbp s ARG 81 Ca 0.05 0.46 0.00 0.00 -1.04 0.00 0.00 55.73 55.21 1nbp s ARG 81 Cb -0.12 -3.52 0.59 0.00 -2.04 0.00 0.00 34.95 29.86 1nbp s ARG 81 CO 0.02 -0.04 1.74 -1.35 -0.04 0.00 0.00 175.30 175.62 1nbp h PRO 82 N 7.18 0.52 -0.16 3.89 0.11 -1.94 -1.57 132.00 140.04 1nbp h PRO 82 Ca -0.36 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.76 1nbp h PRO 82 Cb 1.16 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1nbp h PRO 82 CO 0.75 0.34 0.13 0.07 -0.21 0.00 0.00 178.00 179.08 1nbp h ARG 83 N 0.54 0.00 0.01 1.05 0.11 -1.94 -1.59 114.38 112.56 1nbp h ARG 83 Ca 0.49 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.51 1nbp h ARG 83 Cb 0.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.86 1nbp h ARG 83 CO -0.42 0.00 -0.22 -0.44 0.10 0.00 0.00 179.97 178.99 1nbp h ASP 84 N 0.00 0.17 0.08 0.08 3.32 -1.70 -2.63 116.42 115.74 1nbp h ASP 84 Ca 0.07 -0.83 -0.17 0.00 0.02 0.00 0.00 57.03 56.13 1nbp h ASP 84 Cb 0.32 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1nbp h ASP 84 CO -0.00 0.98 -0.59 0.25 -1.72 0.00 0.00 179.24 178.16 1nbp h LEU 85 N -0.61 0.58 -0.65 1.55 5.85 -1.49 -2.10 115.31 118.44 1nbp h LEU 85 Ca -0.03 -0.33 -0.10 0.00 0.84 0.00 0.00 57.88 58.26 1nbp h LEU 85 Cb 1.03 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1nbp h LEU 85 CO 0.04 1.04 -0.05 0.40 -0.34 0.00 0.00 178.44 179.53 1nbp h ILE 86 N 0.39 1.26 -0.65 4.05 1.08 -1.43 -1.85 117.51 120.37 1nbp h ILE 86 Ca -0.00 -1.19 0.01 0.00 -0.39 0.00 0.00 64.86 63.29 1nbp h ILE 86 Cb 1.14 0.89 -0.03 0.00 -3.07 0.00 0.00 36.82 35.74 1nbp h ILE 86 CO 0.11 0.42 0.43 0.28 -0.69 0.00 0.00 178.15 178.70 1nbp h SER 87 N 0.91 0.73 -0.49 1.72 0.02 -1.36 0.31 113.55 115.39 1nbp h SER 87 Ca 0.15 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1nbp h SER 87 Cb 0.60 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1nbp h SER 87 CO 0.04 0.53 0.32 -1.13 -1.14 0.00 0.00 176.83 175.44 1nbp h ASN 88 N 0.87 0.54 -0.47 3.07 -1.24 -1.22 -0.53 115.58 116.59 1nbp h ASN 88 Ca 0.24 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.20 1nbp h ASN 88 Cb -0.09 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 38.81 1nbp h ASN 88 CO -0.06 0.39 0.15 0.40 -1.29 0.00 0.00 177.43 177.02 1nbp h ILE 89 N 0.64 1.22 -0.37 2.57 2.04 -0.97 -2.59 117.51 120.05 1nbp h ILE 89 Ca 0.19 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.36 1nbp h ILE 89 Cb -0.05 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1nbp h ILE 89 CO -0.05 0.27 0.10 -1.13 0.00 0.00 0.00 178.15 177.34 1nbp h ASN 90 N 0.62 0.08 -0.23 1.72 -0.00 -0.07 0.36 115.58 118.06 1nbp h ASN 90 Ca 0.15 0.05 0.02 0.00 -0.00 0.00 0.00 56.30 56.52 1nbp h ASN 90 Cb 0.26 0.05 -0.02 0.00 -0.00 0.00 0.00 38.32 38.60 1nbp h ASN 90 CO -0.01 0.08 0.09 0.58 -0.00 0.00 0.00 177.43 178.18 1nbp h VAL 91 N 0.24 0.96 -0.25 2.57 2.07 -1.01 -1.00 116.25 119.84 1nbp h VAL 91 Ca 0.17 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1nbp h VAL 91 Cb 0.17 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1nbp h VAL 91 CO -0.20 0.04 0.11 0.40 0.02 0.00 0.00 177.57 177.94 1nbp h ILE 92 N 0.20 1.15 -0.72 4.57 2.04 -1.18 -1.48 117.51 122.10 1nbp h ILE 92 Ca 0.10 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1nbp h ILE 92 Cb 0.06 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1nbp h ILE 92 CO -0.09 0.15 0.42 0.58 0.00 0.00 0.00 178.15 179.21 1nbp h VAL 93 N 0.26 1.21 -0.46 1.67 2.07 -0.80 0.14 116.25 120.35 1nbp h VAL 93 Ca 0.08 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 1nbp h VAL 93 Cb 0.14 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1nbp h VAL 93 CO -0.01 0.23 -0.04 -0.07 0.02 0.00 0.00 177.57 177.70 1nbp h LEU 94 N 0.99 0.75 -0.04 2.57 3.38 -1.03 -0.93 115.31 120.99 1nbp h LEU 94 Ca 0.26 -0.19 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 1nbp h LEU 94 Cb -0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1nbp h LEU 94 CO -0.05 0.84 -0.79 -0.33 0.09 0.00 0.00 178.44 178.20 1nbp h GLU 95 N 0.72 0.00 0.01 1.13 5.08 -0.99 -3.17 114.58 117.36 1nbp h GLU 95 Ca 0.13 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1nbp h GLU 95 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1nbp h GLU 95 CO 0.02 0.79 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.75 1nbp h LEU 96 N 0.00 -0.01 -1.30 1.33 3.38 -0.78 -3.35 115.31 114.58 1nbp h LEU 96 Ca -0.01 -0.85 -0.06 0.00 0.09 0.00 0.00 57.88 57.04 1nbp h LEU 96 Cb 1.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 1nbp h LEU 96 CO 0.10 0.88 -0.31 0.07 0.09 0.00 0.00 178.44 179.28 1nbp h LYS 97 N -0.92 0.00 0.00 1.13 2.10 -1.31 -3.46 116.57 114.11 1nbp h LYS 97 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1nbp h LYS 97 Cb 0.86 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 1nbp h LYS 97 CO 0.00 0.31 0.00 0.41 -2.00 0.00 0.00 179.45 178.17 1nbp n GLY 98 N -0.25 0.28 0.03 0.07 0.00 -1.20 -4.56 105.19 99.56 1nbp n GLY 98 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1nbp n GLY 98 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nbp n PHE 103 N 0.00 0.00 -3.86 1.61 7.35 -1.26 -4.99 117.46 116.31 1nbp n PHE 103 Ca 0.00 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.34 1nbp n PHE 103 Cb 0.00 -0.31 -0.10 0.00 0.35 0.00 0.00 39.48 39.42 1nbp n PHE 103 CO 0.00 0.00 0.00 -1.64 -0.76 0.00 0.00 176.76 174.36 1nbp s MET 104 N -4.29 3.96 0.21 -4.13 -1.94 -1.26 -5.06 119.30 106.80 1nbp s MET 104 Ca 0.00 -0.34 -0.31 0.00 -1.71 0.00 0.00 55.69 53.33 1nbp s MET 104 Cb 0.00 -3.33 -0.11 0.00 2.01 0.00 0.00 34.83 33.40 1nbp s MET 104 CO 0.00 0.14 1.63 0.00 -0.01 0.00 0.00 175.02 176.78 1nbp s GLU 106 N 0.72 4.00 -0.03 0.00 2.02 -1.26 -5.05 118.70 119.09 1nbp s GLU 106 Ca 0.70 -0.20 -0.06 0.00 0.02 0.00 0.00 54.97 55.43 1nbp s GLU 106 Cb -0.47 -3.63 -0.04 0.00 0.10 0.00 0.00 34.13 30.09 1nbp s GLU 106 CO 0.36 -0.15 0.22 0.71 0.02 0.00 0.00 175.26 176.41 1nbp s TYR 107 N 1.68 3.58 0.63 1.61 2.02 -1.26 -0.73 117.35 124.89 1nbp s TYR 107 Ca 0.10 0.52 -0.15 0.00 -0.37 0.00 0.00 57.07 57.16 1nbp s TYR 107 Cb -0.15 -1.94 -0.01 0.00 -0.40 0.00 0.00 41.96 39.45 1nbp s TYR 107 CO 0.09 0.66 1.10 0.00 -1.57 0.00 0.00 175.55 175.83 1nbp s ALA 108 N -1.23 2.57 0.08 3.71 0.00 0.38 -4.60 121.76 122.67 1nbp s ALA 108 Ca 0.24 0.52 -0.18 0.00 0.00 0.00 0.00 51.96 52.54 1nbp s ALA 108 Cb -0.13 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.60 1nbp s ALA 108 CO 0.14 -1.10 1.45 -0.44 0.00 0.00 0.00 175.76 175.80 1nbp h ASP 109 N 0.23 0.51 -3.54 0.00 3.32 -1.98 -3.43 116.42 111.53 1nbp h ASP 109 Ca -0.47 -0.40 -0.52 0.00 0.02 0.00 0.00 57.03 55.66 1nbp h ASP 109 Cb 1.24 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1nbp h ASP 109 CO 0.55 0.79 0.42 -1.61 -1.72 0.00 0.00 179.24 177.67 1nbp s GLU 110 N -4.64 4.64 0.83 3.56 0.41 -1.26 -5.06 118.70 117.18 1nbp s GLU 110 Ca -0.13 1.57 -0.09 0.00 -0.41 0.00 0.00 54.97 55.91 1nbp s GLU 110 Cb 0.07 -3.34 0.15 0.00 -1.78 0.00 0.00 34.13 29.24 1nbp s GLU 110 CO 0.77 0.12 1.15 0.95 -0.49 0.00 0.00 175.26 177.77 1nbp s THR 111 N 0.00 2.08 0.07 3.63 -4.23 -1.26 -4.55 115.64 111.38 1nbp s THR 111 Ca 0.49 -0.27 -0.03 0.00 -1.18 0.00 0.00 61.69 60.69 1nbp s THR 111 Cb -0.26 -2.81 -0.03 0.00 1.34 0.00 0.00 72.50 70.74 1nbp s THR 111 CO 0.32 0.00 0.04 0.00 -0.54 0.00 0.00 174.62 174.43 1nbp s ALA 112 N -3.51 0.37 0.89 3.99 0.00 0.20 -4.93 121.76 118.78 1nbp s ALA 112 Ca 0.69 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 51.43 1nbp s ALA 112 Cb -0.05 0.40 0.13 0.00 0.00 0.00 0.00 23.12 23.59 1nbp s ALA 112 CO 0.48 -0.42 1.11 0.95 0.00 0.00 0.00 175.76 177.88 1nbp s THR 113 N -3.92 2.42 0.36 0.00 -4.23 -1.26 0.15 115.64 109.16 1nbp s THR 113 Ca 0.09 0.14 0.09 0.00 -1.18 0.00 0.00 61.69 60.83 1nbp s THR 113 Cb 0.07 -2.80 0.32 0.00 1.34 0.00 0.00 72.50 71.44 1nbp s THR 113 CO -0.09 -0.18 1.88 -0.29 -0.54 0.00 0.00 174.62 175.40 1nbp h ILE 114 N -1.46 0.85 -0.04 2.99 2.10 -1.82 -1.02 117.51 119.10 1nbp h ILE 114 Ca -0.50 -0.23 -0.01 0.00 1.08 0.00 0.00 64.86 65.19 1nbp h ILE 114 Cb 1.31 0.11 -0.00 0.00 -1.09 0.00 0.00 36.82 37.15 1nbp h ILE 114 CO 0.59 0.12 -0.03 0.58 -1.08 0.00 0.00 178.15 178.34 1nbp h VAL 115 N 0.68 1.36 -0.07 2.19 2.07 -1.94 -1.23 116.25 119.31 1nbp h VAL 115 Ca 0.43 -1.11 -0.11 0.00 0.82 0.00 0.00 66.70 66.73 1nbp h VAL 115 Cb 0.68 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1nbp h VAL 115 CO -0.19 0.30 -0.45 -0.08 0.02 0.00 0.00 177.57 177.17 1nbp h GLU 116 N -0.35 0.16 -0.25 1.57 4.57 -1.90 0.04 114.58 118.42 1nbp h GLU 116 Ca 0.01 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1nbp h GLU 116 Cb 0.50 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 1nbp h GLU 116 CO 0.01 0.58 0.15 0.35 -1.18 0.00 0.00 179.01 178.91 1nbp h PHE 117 N 0.13 0.34 -0.36 0.92 3.57 -1.15 -1.30 116.94 119.09 1nbp h PHE 117 Ca 0.01 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1nbp h PHE 117 Cb 0.85 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1nbp h PHE 117 CO 0.01 0.28 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.16 1nbp h LEU 118 N 0.31 0.75 -0.88 0.59 3.38 -0.95 -2.85 115.31 115.65 1nbp h LEU 118 Ca 0.09 -0.39 0.09 0.00 0.09 0.00 0.00 57.88 57.76 1nbp h LEU 118 Cb 0.04 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.51 1nbp h LEU 118 CO -0.02 0.97 0.53 0.78 0.09 0.00 0.00 178.44 180.80 1nbp h ASN 119 N 0.53 0.79 -0.45 -0.43 -0.26 -0.93 -0.82 115.58 114.00 1nbp h ASN 119 Ca 0.09 0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.83 1nbp h ASN 119 Cb 0.67 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.79 1nbp h ASN 119 CO 0.05 0.46 0.15 -0.09 -1.06 0.00 0.00 177.43 176.94 1nbp h ARG 120 N 0.90 0.70 0.00 0.81 9.65 -1.09 -1.67 114.38 123.68 1nbp h ARG 120 Ca 0.42 -0.14 -0.13 0.00 -1.10 0.00 0.00 59.98 59.02 1nbp h ARG 120 Cb 0.34 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 1nbp h ARG 120 CO -0.23 0.66 -0.63 -1.49 2.80 0.00 0.00 179.97 181.08 1nbp h TRP 121 N 0.60 0.00 -0.33 2.20 4.06 -1.27 -1.34 115.95 119.86 1nbp h TRP 121 Ca 0.15 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.07 1nbp h TRP 121 Cb 0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.40 1nbp h TRP 121 CO 0.01 0.63 0.09 0.82 -3.56 0.00 0.00 178.44 176.43 1nbp h ILE 122 N 0.00 1.21 -0.53 1.49 2.04 -1.06 -1.80 117.51 118.86 1nbp h ILE 122 Ca -0.01 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1nbp h ILE 122 Cb 1.38 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 1nbp h ILE 122 CO 0.08 0.24 0.24 0.74 0.00 0.00 0.00 178.15 179.45 1nbp h THR 123 N 0.38 1.21 -0.22 -0.27 2.02 -1.18 -1.42 112.91 113.42 1nbp h THR 123 Ca 0.10 -0.61 0.05 0.00 0.77 0.00 0.00 66.41 66.73 1nbp h THR 123 Cb 0.27 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 1nbp h THR 123 CO -0.00 0.24 -0.11 0.15 0.37 0.00 0.00 175.52 176.17 1nbp h PHE 124 N 0.71 -0.27 0.05 3.16 3.57 -1.20 -0.31 116.94 122.66 1nbp h PHE 124 Ca 0.18 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.72 1nbp h PHE 124 Cb 0.15 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1nbp h PHE 124 CO 0.00 -0.17 -0.15 0.00 -2.23 0.00 0.00 178.31 175.76 1nbp h GLN 126 N -0.28 0.93 -0.71 0.00 4.20 -1.10 -0.76 115.11 117.39 1nbp h GLN 126 Ca 0.04 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1nbp h GLN 126 Cb 0.31 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1nbp h GLN 126 CO -0.11 0.67 0.32 0.77 -0.67 0.00 0.00 178.83 179.80 1nbp h SER 127 N 0.94 0.96 -0.05 1.46 0.02 -0.72 -2.58 113.55 113.58 1nbp h SER 127 Ca 0.24 -0.15 -0.19 0.00 -0.84 0.00 0.00 61.79 60.85 1nbp h SER 127 Cb -0.00 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.30 1nbp h SER 127 CO -0.04 0.84 -0.71 0.40 -1.14 0.00 0.00 176.83 176.18 1nbp h ILE 128 N 1.01 1.35 -0.95 3.27 1.08 -0.75 -3.15 117.51 119.37 1nbp h ILE 128 Ca 0.24 -2.04 0.16 0.00 -0.39 0.00 0.00 64.86 62.83 1nbp h ILE 128 Cb 0.16 2.36 -0.08 0.00 -3.07 0.00 0.00 36.82 36.19 1nbp h ILE 128 CO -0.03 0.62 0.60 0.40 -0.69 0.00 0.00 178.15 179.05 1nbp h ILE 129 N 0.16 0.81 0.00 -0.67 2.04 -1.18 -1.57 117.51 117.10 1nbp h ILE 129 Ca -0.08 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1nbp h ILE 129 Cb 1.38 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1nbp h ILE 129 CO 0.14 0.14 -0.08 0.28 0.00 0.00 0.00 178.15 178.63 1nbp h SER 130 N 0.76 0.00 0.04 1.72 0.02 -1.42 -1.53 113.55 113.15 1nbp h SER 130 Ca 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 1nbp h SER 130 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1nbp h SER 130 CO -0.26 0.08 -0.04 0.35 -1.14 0.00 0.00 176.83 175.82 1nbp n THR 131 N -3.32 0.00 0.28 -2.27 -2.24 -0.60 -4.08 114.28 102.05 1nbp n THR 131 Ca -0.01 -0.20 0.03 0.00 -2.27 0.00 0.00 64.05 61.61 1nbp n THR 131 Cb 0.27 0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 1nbp n THR 131 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1nbp n LEU 132 N -0.12 0.28 0.00 3.22 4.77 -0.59 -5.13 117.00 119.42 1nbp n LEU 132 Ca 0.18 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1nbp n LEU 132 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1nbp n LEU 132 CO 0.18 0.07 0.22 0.41 -1.33 0.00 0.00 177.39 176.94