#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nbb n ASP 2 N 0.00 2.96 -0.31 0.00 2.03 -1.26 -4.75 116.55 115.22 1nbb n ASP 2 Ca 0.00 1.02 0.13 0.00 0.52 0.00 0.00 54.79 56.46 1nbb n ASP 2 Cb 0.00 -1.26 0.28 0.00 -0.72 0.00 0.00 41.12 39.42 1nbb n ASP 2 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1nbb h THR 3 N 5.38 0.20 -1.05 5.18 1.35 -1.98 0.15 112.91 122.14 1nbb h THR 3 Ca -0.48 -0.04 0.28 0.00 -0.55 0.00 0.00 66.41 65.62 1nbb h THR 3 Cb 1.29 0.08 -0.08 0.00 -1.73 0.00 0.00 68.15 67.71 1nbb h THR 3 CO 0.96 0.02 0.70 0.50 -0.25 0.00 0.00 175.52 177.44 1nbb h LYS 4 N 0.11 0.28 0.00 4.72 3.64 -1.99 0.33 116.57 123.66 1nbb h LYS 4 Ca 0.56 -0.02 -0.29 0.00 -1.27 0.00 0.00 60.65 59.63 1nbb h LYS 4 Cb 1.15 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.86 1nbb h LYS 4 CO -0.76 0.19 -1.84 -1.91 -2.27 0.00 0.00 179.45 172.86 1nbb n GLU 5 N -4.51 0.64 -0.24 1.90 4.07 0.47 -2.51 120.64 120.46 1nbb n GLU 5 Ca 0.24 0.21 -0.07 0.00 -0.06 0.00 0.00 57.16 57.49 1nbb n GLU 5 Cb 0.94 -1.73 0.07 0.00 -0.06 0.00 0.00 31.44 30.66 1nbb n GLU 5 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 1nbb h VAL 6 N 0.00 1.26 -0.22 6.31 -1.51 -0.16 0.70 116.25 122.63 1nbb h VAL 6 Ca -0.33 -0.96 -0.03 0.00 -1.23 0.00 0.00 66.70 64.15 1nbb h VAL 6 Cb 2.01 0.55 -0.01 0.00 -2.13 0.00 0.00 31.29 31.71 1nbb h VAL 6 CO 0.06 0.37 0.03 -0.07 -1.23 0.00 0.00 177.57 176.73 1nbb h LEU 7 N 1.05 0.36 -0.54 4.19 4.07 -0.61 0.90 115.31 124.73 1nbb h LEU 7 Ca 0.22 -0.27 0.08 0.00 0.08 0.00 0.00 57.88 57.99 1nbb h LEU 7 Cb 0.37 -0.10 -0.07 0.00 1.08 0.00 0.00 40.66 41.95 1nbb h LEU 7 CO 0.00 0.54 0.17 -0.08 -1.08 0.00 0.00 178.44 178.00 1nbb h GLU 8 N 0.16 0.33 -0.07 1.13 4.81 -1.03 0.53 114.58 120.44 1nbb h GLU 8 Ca 0.07 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1nbb h GLU 8 Cb 0.34 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1nbb h GLU 8 CO 0.01 0.22 -0.04 0.00 -0.73 0.00 0.00 179.01 178.46 1nbb h ALA 9 N 1.38 0.10 0.00 2.92 0.00 0.60 -2.77 119.26 121.49 1nbb h ALA 9 Ca 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1nbb h ALA 9 Cb 0.32 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1nbb h ALA 9 CO -0.29 -0.14 -0.03 0.07 0.00 0.00 0.00 179.25 178.86 1nbb h ARG 10 N -0.25 0.00 -0.00 0.00 0.11 -0.24 -1.40 114.38 112.60 1nbb h ARG 10 Ca 0.01 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.87 1nbb h ARG 10 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 1nbb h ARG 10 CO 0.01 0.03 -0.93 1.49 0.10 0.00 0.00 179.97 180.67 1nbb h GLU 11 N 0.00 0.40 -0.29 0.08 4.81 -0.86 -2.54 114.58 116.19 1nbb h GLU 11 Ca -0.00 -0.43 -0.14 0.00 -0.13 0.00 0.00 59.36 58.66 1nbb h GLU 11 Cb 0.45 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1nbb h GLU 11 CO 0.00 1.10 -0.40 0.00 -0.73 0.00 0.00 179.01 178.99 1nbb h ALA 12 N 0.75 0.77 -0.14 2.92 0.00 -1.07 -1.47 119.26 121.03 1nbb h ALA 12 Ca -0.08 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1nbb h ALA 12 Cb 1.57 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1nbb h ALA 12 CO 0.16 0.66 0.06 -0.92 0.00 0.00 0.00 179.25 179.21 1nbb h TYR 13 N 0.56 0.21 -0.03 0.00 5.03 -1.22 -1.96 116.97 119.55 1nbb h TYR 13 Ca 0.05 -0.01 -0.16 0.00 2.58 0.00 0.00 58.73 61.18 1nbb h TYR 13 Cb 0.93 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 39.13 1nbb h TYR 13 CO 0.04 0.27 -0.70 0.27 -1.32 0.00 0.00 178.16 176.73 1nbb h PHE 14 N 0.08 0.24 -0.17 -3.82 -5.15 -1.40 -1.12 116.94 105.60 1nbb h PHE 14 Ca 0.05 -0.11 -0.09 0.00 -0.20 0.00 0.00 57.97 57.62 1nbb h PHE 14 Cb 0.15 -0.04 -0.01 0.00 0.22 0.00 0.00 35.95 36.27 1nbb h PHE 14 CO -0.02 0.82 -0.27 0.87 -2.00 0.00 0.00 178.31 177.70 1nbb h LYS 15 N 0.12 0.32 0.01 6.09 1.57 -1.26 0.27 116.57 123.68 1nbb h LYS 15 Ca -0.02 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1nbb h LYS 15 Cb 1.24 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1nbb h LYS 15 CO 0.10 0.57 -0.00 0.77 -0.57 0.00 0.00 179.45 180.32 1nbb h SER 16 N 0.29 -0.01 0.54 0.86 0.02 -1.03 -1.51 113.55 112.71 1nbb h SER 16 Ca 0.04 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 1nbb h SER 16 Cb 0.64 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.18 1nbb h SER 16 CO 0.05 0.34 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.74 1nbb h LEU 17 N -0.35 -0.62 -0.79 5.07 3.38 -0.94 -2.29 115.31 118.78 1nbb h LEU 17 Ca -0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 1nbb h LEU 17 Cb 0.35 0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.13 1nbb h LEU 17 CO 0.00 -0.41 0.10 1.23 0.09 0.00 0.00 178.44 179.45 1nbb h GLY 18 N -0.78 1.02 1.01 0.83 0.00 -0.51 0.59 103.07 105.23 1nbb h GLY 18 Ca -0.07 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1nbb h GLY 18 CO 0.12 -0.29 0.30 -1.33 0.00 0.00 0.00 176.54 175.34 1nbb h GLY 19 N 0.16 1.05 0.88 4.60 0.00 -1.07 -1.79 103.07 106.90 1nbb h GLY 19 Ca 0.45 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1nbb h GLY 19 CO -0.63 0.51 0.06 0.23 0.00 0.00 0.00 176.54 176.71 1nbb h SER 20 N 0.93 0.22 -0.50 0.19 0.87 -0.50 -0.73 113.55 114.03 1nbb h SER 20 Ca 0.23 -0.16 0.04 0.00 -1.23 0.00 0.00 61.79 60.67 1nbb h SER 20 Cb 0.15 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 1nbb h SER 20 CO -0.03 0.32 0.26 0.24 -0.53 0.00 0.00 176.83 177.09 1nbb h MET 21 N 0.10 0.49 -0.61 2.24 2.86 -0.84 0.54 114.93 119.71 1nbb h MET 21 Ca 0.05 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1nbb h MET 21 Cb 0.17 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1nbb h MET 21 CO -0.00 0.32 0.34 -0.22 1.06 0.00 0.00 176.91 178.41 1nbb h LYS 22 N 0.50 0.85 -0.20 1.72 3.64 -1.04 -1.91 116.57 120.14 1nbb h LYS 22 Ca 0.22 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1nbb h LYS 22 Cb 0.12 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1nbb h LYS 22 CO -0.15 0.64 -0.04 0.00 -2.27 0.00 0.00 179.45 177.63 1nbb h ALA 23 N 1.16 0.27 0.00 5.00 0.00 -0.52 -3.06 119.26 122.12 1nbb h ALA 23 Ca 0.22 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1nbb h ALA 23 Cb 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nbb h ALA 23 CO -0.04 0.04 -0.13 0.52 0.00 0.00 0.00 179.25 179.65 1nbb h MET 24 N 0.11 0.00 -0.31 0.00 2.86 -0.79 -2.05 114.93 114.74 1nbb h MET 24 Ca 0.05 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.55 1nbb h MET 24 Cb 0.48 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1nbb h MET 24 CO 0.02 0.13 -0.38 1.15 1.06 0.00 0.00 176.91 178.88 1nbb h THR 25 N 0.00 1.29 -0.01 2.22 2.02 -1.28 0.37 112.91 117.51 1nbb h THR 25 Ca -0.00 -1.55 -0.16 0.00 0.77 0.00 0.00 66.41 65.47 1nbb h THR 25 Cb 0.28 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 1nbb h THR 25 CO 0.02 0.51 -0.74 1.23 0.37 0.00 0.00 175.52 176.90 1nbb h GLY 26 N 0.93 0.05 1.14 2.16 0.00 -1.29 -1.80 103.07 104.26 1nbb h GLY 26 Ca 0.05 -0.08 -0.19 0.00 0.00 0.00 0.00 47.33 47.11 1nbb h GLY 26 CO 0.08 0.07 -0.57 -2.08 0.00 0.00 0.00 176.54 174.05 1nbb h VAL 27 N 0.03 1.28 -0.08 4.60 2.07 -1.25 -2.46 116.25 120.44 1nbb h VAL 27 Ca -0.01 -1.76 -0.06 0.00 0.82 0.00 0.00 66.70 65.69 1nbb h VAL 27 Cb 1.31 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1nbb h VAL 27 CO 0.10 0.57 -0.23 0.00 0.02 0.00 0.00 177.57 178.03 1nbb h ALA 28 N 0.65 1.47 -0.31 1.67 0.00 -0.78 0.38 119.26 122.35 1nbb h ALA 28 Ca 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1nbb h ALA 28 Cb 1.19 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1nbb h ALA 28 CO 0.13 0.38 -0.18 0.87 0.00 0.00 0.00 179.25 180.45 1nbb h LYS 29 N 0.13 0.55 -2.05 0.00 1.57 -0.97 -3.32 116.57 112.47 1nbb h LYS 29 Ca 0.02 -0.19 -0.56 0.00 -1.87 0.00 0.00 60.65 58.06 1nbb h LYS 29 Cb 0.48 -0.04 -0.40 0.00 0.08 0.00 0.00 32.23 32.35 1nbb h LYS 29 CO 0.03 0.71 -0.99 0.00 -0.57 0.00 0.00 179.45 178.63 1nbb n ALA 30 N -2.48 2.82 -1.58 3.86 0.00 -0.68 -5.11 120.51 117.34 1nbb n ALA 30 Ca 0.00 -3.74 -0.48 0.00 0.00 0.00 0.00 53.44 49.21 1nbb n ALA 30 Cb 0.37 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 1nbb n ALA 30 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nbb n PHE 31 N 1.07 1.32 -3.53 0.00 7.35 0.12 -4.79 117.46 119.01 1nbb n PHE 31 Ca 0.24 0.67 -0.12 0.00 -0.76 0.00 0.00 57.45 57.48 1nbb n PHE 31 Cb 0.52 -2.28 -0.11 0.00 0.35 0.00 0.00 39.48 37.96 1nbb n PHE 31 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1nbb s ASP 32 N -0.03 0.38 0.41 -2.13 -1.08 -1.26 -5.06 116.67 107.90 1nbb s ASP 32 Ca 0.72 0.41 0.17 0.00 -0.52 0.00 0.00 52.55 53.33 1nbb s ASP 32 Cb -0.84 0.91 1.06 0.00 -1.46 0.00 0.00 42.92 42.59 1nbb s ASP 32 CO 0.53 -0.27 1.85 0.00 0.52 0.00 0.00 175.17 177.79 1nbb h ALA 33 N 8.23 2.16 -0.18 3.66 0.00 -1.93 -2.37 119.26 128.85 1nbb h ALA 33 Ca -0.17 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1nbb h ALA 33 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1nbb h ALA 33 CO 0.20 -0.46 -0.32 0.93 0.00 0.00 0.00 179.25 179.60 1nbb h GLU 34 N 0.44 0.53 0.00 0.00 4.39 -1.97 -2.51 114.58 115.46 1nbb h GLU 34 Ca 0.48 -0.34 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 1nbb h GLU 34 Cb 1.15 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 1nbb h GLU 34 CO -0.19 0.94 -0.51 0.00 -1.16 0.00 0.00 179.01 178.09 1nbb h ALA 35 N 0.59 1.02 -0.44 3.43 0.00 -1.95 -2.34 119.26 119.57 1nbb h ALA 35 Ca 0.01 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 1nbb h ALA 35 Cb 0.92 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1nbb h ALA 35 CO 0.07 0.64 -0.26 0.00 0.00 0.00 0.00 179.25 179.70 1nbb h ALA 36 N 1.49 0.72 -0.25 0.00 0.00 -1.39 -1.32 119.26 118.51 1nbb h ALA 36 Ca -0.01 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 1nbb h ALA 36 Cb 0.99 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1nbb h ALA 36 CO 0.07 0.67 -0.44 0.87 0.00 0.00 0.00 179.25 180.41 1nbb h LYS 37 N 0.79 0.62 -0.51 0.00 1.57 -1.29 0.32 116.57 118.06 1nbb h LYS 37 Ca 0.10 -0.33 -0.09 0.00 -1.87 0.00 0.00 60.65 58.45 1nbb h LYS 37 Cb 0.82 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1nbb h LYS 37 CO 0.07 0.94 -0.02 -0.39 -0.57 0.00 0.00 179.45 179.48 1nbb h VAL 38 N 0.50 1.26 -0.47 0.50 -1.51 -1.31 0.18 116.25 115.40 1nbb h VAL 38 Ca 0.03 -1.12 -0.09 0.00 -1.23 0.00 0.00 66.70 64.29 1nbb h VAL 38 Cb 0.97 0.96 -0.02 0.00 -2.13 0.00 0.00 31.29 31.07 1nbb h VAL 38 CO 0.09 0.39 -0.08 -0.33 -1.23 0.00 0.00 177.57 176.41 1nbb h GLU 39 N 0.78 0.83 0.00 5.19 4.39 -1.03 -2.33 114.58 122.42 1nbb h GLU 39 Ca 0.14 -0.27 -0.09 0.00 0.34 0.00 0.00 59.36 59.49 1nbb h GLU 39 Cb 0.55 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1nbb h GLU 39 CO 0.03 0.89 -0.41 0.00 -1.16 0.00 0.00 179.01 178.36 1nbb h ALA 40 N 1.15 1.27 -0.41 3.43 0.00 0.02 -1.19 119.26 123.52 1nbb h ALA 40 Ca 0.13 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1nbb h ALA 40 Cb 0.57 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1nbb h ALA 40 CO 0.03 0.51 -0.32 0.00 0.00 0.00 0.00 179.25 179.47 1nbb h ALA 41 N 1.59 0.59 -0.00 0.00 0.00 -0.12 -1.52 119.26 119.80 1nbb h ALA 41 Ca -0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1nbb h ALA 41 Cb 0.75 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1nbb h ALA 41 CO 0.05 0.65 -0.00 -0.22 0.00 0.00 0.00 179.25 179.73 1nbb h LYS 42 N 0.77 0.00 -0.93 0.00 3.64 -1.25 -2.95 116.57 115.86 1nbb h LYS 42 Ca 0.08 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1nbb h LYS 42 Cb 0.91 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.67 1nbb h LYS 42 CO 0.08 0.39 0.61 1.25 -2.27 0.00 0.00 179.45 179.51 1nbb h LEU 43 N -0.39 0.99 -1.01 5.20 5.85 -1.20 -1.28 115.31 123.47 1nbb h LEU 43 Ca 0.00 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1nbb h LEU 43 Cb 0.39 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1nbb h LEU 43 CO 0.00 0.67 0.67 -0.08 -0.34 0.00 0.00 178.44 179.35 1nbb h GLU 44 N 1.14 1.31 -0.17 1.25 4.81 -1.26 -1.73 114.58 119.93 1nbb h GLU 44 Ca 0.37 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1nbb h GLU 44 Cb 0.05 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1nbb h GLU 44 CO -0.12 0.86 0.08 -0.22 -0.73 0.00 0.00 179.01 178.88 1nbb h LYS 45 N 1.35 0.24 -0.65 1.92 1.63 -1.08 -3.06 116.57 116.91 1nbb h LYS 45 Ca 0.38 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 60.19 1nbb h LYS 45 Cb -0.12 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.41 1nbb h LYS 45 CO -0.09 0.28 0.37 0.82 -3.45 0.00 0.00 179.45 177.38 1nbb h ILE 46 N 0.14 0.98 0.00 2.00 2.04 -1.03 -2.06 117.51 119.59 1nbb h ILE 46 Ca 0.06 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1nbb h ILE 46 Cb 0.12 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1nbb h ILE 46 CO -0.01 0.12 0.00 0.18 0.00 0.00 0.00 178.15 178.45 1nbb n LEU 47 N -4.78 0.00 0.00 1.44 4.77 -0.68 -2.00 117.00 115.74 1nbb n LEU 47 Ca 0.08 0.47 0.10 0.00 -0.03 0.00 0.00 56.01 56.63 1nbb n LEU 47 Cb 0.16 -0.47 0.45 0.00 -2.33 0.00 0.00 43.42 41.22 1nbb n LEU 47 CO 0.30 -0.24 0.83 0.00 -1.33 0.00 0.00 177.39 176.94 1nbb n ALA 48 N -1.47 1.96 -2.50 -1.18 0.00 -0.77 -4.79 120.51 111.76 1nbb n ALA 48 Ca 0.04 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 1nbb n ALA 48 Cb 0.16 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 1nbb n ALA 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1nbb s THR 49 N -2.97 4.39 -0.37 0.00 2.01 -0.85 -5.01 115.64 112.83 1nbb s THR 49 Ca 0.11 1.76 -0.25 0.00 0.31 0.00 0.00 61.69 63.62 1nbb s THR 49 Cb 0.14 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.53 1nbb s THR 49 CO 0.38 0.16 0.86 -0.62 -0.69 0.00 0.00 174.62 174.71 1nbb s ASP 50 N 0.86 6.60 0.00 3.53 2.15 -1.26 -4.89 116.67 123.66 1nbb s ASP 50 Ca 0.54 0.44 0.28 0.00 0.43 0.00 0.00 52.55 54.24 1nbb s ASP 50 Cb -0.26 -2.43 1.08 0.00 -0.30 0.00 0.00 42.92 41.01 1nbb s ASP 50 CO 0.29 -0.81 1.82 0.52 -0.17 0.00 0.00 175.17 176.82 1nbb n VAL 51 N 5.92 0.00 0.09 1.11 0.31 -1.26 -4.26 118.33 120.24 1nbb n VAL 51 Ca 0.05 -0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.26 1nbb n VAL 51 Cb 0.48 -0.33 -0.07 0.00 -0.91 0.00 0.00 33.84 33.01 1nbb n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nbb h ALA 52 N 3.01 -0.90 0.00 3.52 0.00 -2.00 -0.15 119.26 122.74 1nbb h ALA 52 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1nbb h ALA 52 Cb 0.50 0.78 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1nbb h ALA 52 CO 0.00 -0.99 0.00 -0.35 0.00 0.00 0.00 179.25 177.91 1nbb n PRO 53 N -4.71 0.52 0.06 0.00 -0.04 -1.26 -2.91 135.00 126.65 1nbb n PRO 53 Ca -0.06 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.52 1nbb n PRO 53 Cb 0.31 -1.09 0.19 0.00 -0.04 0.00 0.00 33.50 32.87 1nbb n PRO 53 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1nbb n LEU 54 N -0.59 0.68 -2.83 1.53 4.77 -0.07 -4.38 117.00 116.11 1nbb n LEU 54 Ca 0.02 0.22 -0.24 0.00 -0.03 0.00 0.00 56.01 55.98 1nbb n LEU 54 Cb 0.01 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1nbb n LEU 54 CO 0.02 -0.04 0.08 0.49 -1.33 0.00 0.00 177.39 176.60 1nbb n PHE 55 N -2.06 3.03 -2.20 -1.77 3.01 -1.15 -4.85 117.46 111.48 1nbb n PHE 55 Ca 0.03 -3.62 -0.35 0.00 1.01 0.00 0.00 57.45 54.52 1nbb n PHE 55 Cb 0.43 -0.36 0.01 0.00 -0.01 0.00 0.00 39.48 39.55 1nbb n PHE 55 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1nbb s PRO 56 N -3.30 3.26 0.30 -1.08 0.04 -1.26 -4.91 135.00 128.05 1nbb s PRO 56 Ca 0.45 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 1nbb s PRO 56 Cb 0.34 -1.99 -0.12 0.00 0.04 0.00 0.00 34.50 32.77 1nbb s PRO 56 CO -0.13 -0.94 1.41 0.00 0.04 0.00 0.00 177.00 177.39 1nbb n ALA 57 N -1.37 1.62 -0.13 8.56 0.00 -1.26 -3.45 120.51 124.48 1nbb n ALA 57 Ca 0.12 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1nbb n ALA 57 Cb 0.51 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1nbb n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nbb n GLY 58 N 1.49 1.25 0.79 0.00 0.00 -1.26 -5.00 105.19 102.47 1nbb n GLY 58 Ca 0.07 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.05 1nbb n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nbb n THR 59 N -1.82 1.30 -2.12 2.61 -2.24 -1.22 -4.76 114.28 106.03 1nbb n THR 59 Ca 0.00 -2.14 -0.27 0.00 -2.27 0.00 0.00 64.05 59.37 1nbb n THR 59 Cb 0.02 0.20 0.07 0.00 -2.10 0.00 0.00 70.33 68.52 1nbb n THR 59 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1nbb s SER 60 N -2.61 4.73 0.65 3.42 1.04 -1.26 -4.67 113.70 114.99 1nbb s SER 60 Ca 0.33 0.54 0.43 0.00 0.48 0.00 0.00 55.95 57.73 1nbb s SER 60 Cb 0.33 -1.15 2.29 0.00 0.10 0.00 0.00 66.02 67.58 1nbb s SER 60 CO -0.08 -1.68 2.32 0.77 0.98 0.00 0.00 173.24 175.55 1nbb h SER 61 N -0.72 0.00 1.26 7.02 4.64 -0.89 0.11 113.55 124.97 1nbb h SER 61 Ca -0.45 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.82 1nbb h SER 61 Cb 1.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1nbb h SER 61 CO 0.62 0.00 -0.77 0.71 -0.87 0.00 0.00 176.83 176.52 1nbb h THR 62 N 0.00 0.27 0.14 2.95 1.35 -1.91 -2.37 112.91 113.34 1nbb h THR 62 Ca 0.00 -1.44 -0.33 0.00 -0.55 0.00 0.00 66.41 64.09 1nbb h THR 62 Cb 0.07 1.90 -0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1nbb h THR 62 CO 0.00 0.15 -1.71 0.44 -0.25 0.00 0.00 175.52 174.15 1nbb h ASP 63 N 0.00 0.46 -2.28 5.36 3.32 -1.38 -3.39 116.42 118.51 1nbb h ASP 63 Ca -0.04 -0.90 -0.59 0.00 0.02 0.00 0.00 57.03 55.53 1nbb h ASP 63 Cb 1.20 -0.15 -0.42 0.00 0.22 0.00 0.00 39.33 40.18 1nbb h ASP 63 CO 0.02 1.75 -0.65 0.18 -1.72 0.00 0.00 179.24 178.82 1nbb n LEU 64 N -3.70 4.41 -4.72 1.55 4.77 0.20 -4.97 117.00 114.54 1nbb n LEU 64 Ca -0.27 -5.67 -0.64 0.00 -0.03 0.00 0.00 56.01 49.40 1nbb n LEU 64 Cb 1.00 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1nbb n LEU 64 CO 0.44 2.36 1.16 -0.81 -1.33 0.00 0.00 177.39 179.21 1nbb n PRO 65 N -0.24 0.40 -0.31 3.23 -0.04 -0.89 -0.49 135.00 136.67 1nbb n PRO 65 Ca 0.31 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1nbb n PRO 65 Cb 0.40 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 1nbb n PRO 65 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nbb n GLY 66 N 3.87 1.94 0.00 0.55 0.00 -1.26 -4.84 105.19 105.46 1nbb n GLY 66 Ca 0.29 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.41 1nbb n GLY 66 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nbb n GLN 67 N -2.00 0.38 -3.56 1.61 6.02 0.36 -5.01 117.38 115.17 1nbb n GLN 67 Ca 0.00 -0.07 -0.11 0.00 -0.01 0.00 0.00 57.00 56.82 1nbb n GLN 67 Cb 0.00 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.75 1nbb n GLN 67 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1nbb s THR 68 N -3.11 0.03 -1.24 5.09 -1.32 -1.24 -5.04 115.64 108.82 1nbb s THR 68 Ca 0.02 -0.37 0.11 0.00 -1.21 0.00 0.00 61.69 60.24 1nbb s THR 68 Cb 0.15 -1.17 0.13 0.00 -1.51 0.00 0.00 72.50 70.10 1nbb s THR 68 CO 0.85 -0.16 0.92 -0.62 -2.21 0.00 0.00 174.62 173.40 1nbb n GLU 69 N -0.31 0.96 -1.65 7.08 1.02 -1.26 -4.25 120.64 122.23 1nbb n GLU 69 Ca -0.15 -1.31 -0.42 0.00 -0.02 0.00 0.00 57.16 55.25 1nbb n GLU 69 Cb 0.64 -1.21 -0.03 0.00 -0.02 0.00 0.00 31.44 30.82 1nbb n GLU 69 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nbb n ALA 70 N 0.57 1.59 -2.33 0.62 0.00 -1.26 -1.50 120.51 118.20 1nbb n ALA 70 Ca 0.07 0.14 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 1nbb n ALA 70 Cb 0.30 -2.71 -0.03 0.00 0.00 0.00 0.00 19.45 17.00 1nbb n ALA 70 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1nbb s LYS 71 N 4.74 4.48 0.41 0.00 1.02 -0.03 -0.38 119.74 129.99 1nbb s LYS 71 Ca 0.91 1.74 0.23 0.00 0.02 0.00 0.00 55.97 58.87 1nbb s LYS 71 Cb -0.43 -3.33 1.25 0.00 -0.52 0.00 0.00 37.83 34.80 1nbb s LYS 71 CO 0.41 -0.16 1.67 0.00 -0.92 0.00 0.00 175.35 176.35 1nbb h ALA 72 N 6.31 1.11 0.00 5.17 0.00 -1.92 -0.21 119.26 129.72 1nbb h ALA 72 Ca -0.42 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1nbb h ALA 72 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1nbb h ALA 72 CO 0.78 -0.11 -0.08 0.00 0.00 0.00 0.00 179.25 179.84 1nbb h ALA 73 N 1.65 1.52 -0.57 0.00 0.00 -1.92 -2.31 119.26 117.64 1nbb h ALA 73 Ca 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1nbb h ALA 73 Cb 0.28 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1nbb h ALA 73 CO 0.00 0.10 0.23 0.82 0.00 0.00 0.00 179.25 180.40 1nbb h ILE 74 N 0.00 0.84 0.00 0.00 2.04 -1.37 -1.56 117.51 117.46 1nbb h ILE 74 Ca -0.00 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1nbb h ILE 74 Cb 0.19 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1nbb h ILE 74 CO 0.01 0.08 0.00 0.79 0.00 0.00 0.00 178.15 179.03 1nbb n TRP 75 N -4.96 0.00 0.34 1.37 8.01 -0.87 -1.04 117.44 120.30 1nbb n TRP 75 Ca 0.07 0.00 0.04 0.00 -1.31 0.00 0.00 57.50 56.30 1nbb n TRP 75 Cb 0.22 -0.05 -0.02 0.00 -2.01 0.00 0.00 31.31 29.46 1nbb n TRP 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1nbb n ALA 76 N -1.05 2.80 -2.75 6.99 0.00 -0.64 -4.63 120.51 121.24 1nbb n ALA 76 Ca 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 1nbb n ALA 76 Cb 0.07 -0.27 0.05 0.00 0.00 0.00 0.00 19.45 19.30 1nbb n ALA 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1nbb n ASN 77 N -0.66 1.81 -0.08 0.00 3.02 -0.20 -4.94 115.26 114.21 1nbb n ASN 77 Ca 0.02 -2.17 0.21 0.00 -0.03 0.00 0.00 54.58 52.62 1nbb n ASN 77 Cb 0.14 -0.46 0.65 0.00 -0.61 0.00 0.00 39.78 39.50 1nbb n ASN 77 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1nbb h MET 78 N 2.49 0.10 -0.25 3.52 2.86 -1.50 -0.22 114.93 121.93 1nbb h MET 78 Ca -0.10 -0.01 -0.17 0.00 -2.06 0.00 0.00 59.70 57.36 1nbb h MET 78 Cb 1.32 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.95 1nbb h MET 78 CO 0.22 0.06 -0.53 -0.44 1.06 0.00 0.00 176.91 177.29 1nbb h ASP 79 N 0.10 0.81 0.22 1.22 3.32 -1.92 -0.71 116.42 119.46 1nbb h ASP 79 Ca 0.32 -0.42 -0.22 0.00 0.02 0.00 0.00 57.03 56.72 1nbb h ASP 79 Cb 1.12 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1nbb h ASP 79 CO -0.03 1.18 -0.88 -0.78 -1.72 0.00 0.00 179.24 177.01 1nbb h ASP 80 N 0.57 0.61 -0.52 6.45 3.58 -1.65 -2.39 116.42 123.07 1nbb h ASP 80 Ca 0.02 -0.45 -0.03 0.00 0.42 0.00 0.00 57.03 56.98 1nbb h ASP 80 Cb 1.10 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.95 1nbb h ASP 80 CO 0.11 1.24 0.19 0.15 -2.88 0.00 0.00 179.24 178.05 1nbb h PHE 81 N 0.30 0.81 -0.50 0.28 3.57 -1.04 -1.24 116.94 119.12 1nbb h PHE 81 Ca -0.07 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.33 1nbb h PHE 81 Cb 1.50 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 1nbb h PHE 81 CO 0.06 0.68 0.20 0.78 -2.23 0.00 0.00 178.31 177.80 1nbb h GLY 82 N 0.71 0.80 0.79 2.40 0.00 -1.08 -0.33 103.07 106.36 1nbb h GLY 82 Ca 0.17 -0.44 0.03 0.00 0.00 0.00 0.00 47.33 47.09 1nbb h GLY 82 CO -0.01 0.42 0.22 0.00 0.00 0.00 0.00 176.54 177.17 1nbb h ALA 83 N 1.04 0.54 0.00 3.60 0.00 -1.16 0.68 119.26 123.96 1nbb h ALA 83 Ca 0.17 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1nbb h ALA 83 Cb 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1nbb h ALA 83 CO -0.01 -0.13 -0.35 0.87 0.00 0.00 0.00 179.25 179.63 1nbb h LYS 84 N 0.44 0.00 -0.28 0.00 1.57 -1.05 0.39 116.57 117.65 1nbb h LYS 84 Ca 0.19 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.79 1nbb h LYS 84 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1nbb h LYS 84 CO -0.13 0.35 -0.51 0.78 -0.57 0.00 0.00 179.45 179.37 1nbb h GLY 85 N 1.33 0.92 1.09 3.86 0.00 0.38 -2.70 103.07 107.95 1nbb h GLY 85 Ca -0.00 -1.07 -0.18 0.00 0.00 0.00 0.00 47.33 46.08 1nbb h GLY 85 CO 0.05 0.96 -0.55 0.50 0.00 0.00 0.00 176.54 177.50 1nbb h LYS 86 N 0.61 0.79 -0.71 4.80 1.57 0.10 -2.73 116.57 121.00 1nbb h LYS 86 Ca 0.01 -0.53 0.13 0.00 -1.87 0.00 0.00 60.65 58.40 1nbb h LYS 86 Cb 1.12 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.46 1nbb h LYS 86 CO 0.12 1.16 0.48 0.00 -0.57 0.00 0.00 179.45 180.63 1nbb h ALA 87 N 0.63 2.09 -0.07 3.86 0.00 -0.28 -0.53 119.26 124.96 1nbb h ALA 87 Ca -0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1nbb h ALA 87 Cb 1.16 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1nbb h ALA 87 CO 0.12 -0.27 -0.64 1.98 0.00 0.00 0.00 179.25 180.44 1nbb h MET 88 N 0.41 0.55 -0.02 0.00 1.85 -1.26 -2.61 114.93 113.86 1nbb h MET 88 Ca 0.34 -0.51 0.00 0.00 -0.61 0.00 0.00 59.70 58.93 1nbb h MET 88 Cb 0.76 0.12 -0.00 0.00 0.43 0.00 0.00 31.60 32.91 1nbb h MET 88 CO -0.10 1.13 0.01 1.25 -0.40 0.00 0.00 176.91 178.80 1nbb h HIS 89 N 0.15 0.01 0.07 1.39 6.17 -0.83 -1.85 115.15 120.26 1nbb h HIS 89 Ca -0.06 0.00 -0.20 0.00 0.71 0.00 0.00 60.37 60.82 1nbb h HIS 89 Cb 1.30 -0.00 0.02 0.00 2.52 0.00 0.00 27.41 31.25 1nbb h HIS 89 CO 0.12 0.00 -0.84 0.93 0.71 0.00 0.00 177.93 178.85 1nbb h GLU 90 N 0.01 0.45 -0.73 5.26 5.08 -1.27 -2.90 114.58 120.46 1nbb h GLU 90 Ca 0.01 -0.57 -0.01 0.00 -1.00 0.00 0.00 59.36 57.78 1nbb h GLU 90 Cb 0.02 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1nbb h GLU 90 CO -0.00 1.22 0.40 0.00 -1.00 0.00 0.00 179.01 179.63 1nbb h ALA 91 N 0.25 1.33 -0.34 3.43 0.00 -1.14 -2.36 119.26 120.43 1nbb h ALA 91 Ca -0.12 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1nbb h ALA 91 Cb 1.57 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1nbb h ALA 91 CO 0.16 0.55 -0.06 0.78 0.00 0.00 0.00 179.25 180.68 1nbb h GLY 92 N 1.07 0.61 1.22 0.00 0.00 -1.38 -1.31 103.07 103.27 1nbb h GLY 92 Ca 0.26 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 1nbb h GLY 92 CO -0.04 0.37 0.14 -1.33 0.00 0.00 0.00 176.54 175.68 1nbb h GLY 93 N 0.91 1.04 1.06 4.60 0.00 -1.22 -1.53 103.07 107.94 1nbb h GLY 93 Ca 0.10 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 1nbb h GLY 93 CO 0.02 0.59 0.30 0.00 0.00 0.00 0.00 176.54 177.46 1nbb h ALA 94 N 1.22 1.05 -0.46 3.60 0.00 -0.87 -0.43 119.26 123.36 1nbb h ALA 94 Ca 0.20 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1nbb h ALA 94 Cb 0.35 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1nbb h ALA 94 CO 0.00 0.67 0.00 0.28 0.00 0.00 0.00 179.25 180.20 1nbb h VAL 95 N 1.15 1.26 -0.57 0.00 2.07 -1.01 -1.76 116.25 117.39 1nbb h VAL 95 Ca 0.26 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 1nbb h VAL 95 Cb 0.23 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1nbb h VAL 95 CO -0.02 0.37 0.23 0.40 0.02 0.00 0.00 177.57 178.57 1nbb h ILE 96 N 0.67 1.22 -0.31 4.57 2.04 -0.79 -1.18 117.51 123.73 1nbb h ILE 96 Ca 0.13 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1nbb h ILE 96 Cb 0.50 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1nbb h ILE 96 CO 0.02 0.27 0.11 0.00 0.00 0.00 0.00 178.15 178.56 1nbb h ALA 97 N 1.08 0.40 -0.56 1.87 0.00 -1.01 -1.06 119.26 119.98 1nbb h ALA 97 Ca 0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1nbb h ALA 97 Cb 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1nbb h ALA 97 CO -0.02 0.01 0.18 0.00 0.00 0.00 0.00 179.25 179.43 1nbb h ALA 98 N 0.95 1.28 -0.31 0.00 0.00 -1.09 0.10 119.26 120.19 1nbb h ALA 98 Ca 0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1nbb h ALA 98 Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1nbb h ALA 98 CO -0.01 0.52 0.06 0.00 0.00 0.00 0.00 179.25 179.82 1nbb h ALA 99 N 1.39 0.41 0.00 0.00 0.00 -0.86 -1.50 119.26 118.70 1nbb h ALA 99 Ca 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nbb h ALA 99 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1nbb h ALA 99 CO -0.01 0.09 0.00 -0.91 0.00 0.00 0.00 179.25 178.42 1nbb h ASN 100 N 0.33 0.00 1.07 0.00 2.35 -0.64 -1.81 115.58 116.89 1nbb h ASN 100 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1nbb h ASN 100 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1nbb h ASN 100 CO 0.00 0.00 -0.31 0.00 -1.65 0.00 0.00 177.43 175.47 1nbb n ALA 101 N -2.07 2.68 -1.68 -0.83 0.00 0.30 -4.92 120.51 113.99 1nbb n ALA 101 Ca 0.02 -0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.22 1nbb n ALA 101 Cb 0.36 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1nbb n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nbb n GLY 102 N 1.36 0.52 3.37 0.00 0.00 -0.68 -4.96 105.19 104.80 1nbb n GLY 102 Ca 0.05 -0.62 -0.46 0.00 0.00 0.00 0.00 46.02 44.99 1nbb n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nbb s ASP 103 N -2.78 6.72 0.53 1.61 -1.08 -0.63 -4.90 116.67 116.14 1nbb s ASP 103 Ca 0.00 -2.48 0.26 0.00 -0.52 0.00 0.00 52.55 49.81 1nbb s ASP 103 Cb 0.00 -2.27 1.40 0.00 -1.46 0.00 0.00 42.92 40.60 1nbb s ASP 103 CO 0.00 -0.73 1.98 1.23 0.52 0.00 0.00 175.17 178.17 1nbb h GLY 104 N 8.60 0.01 0.96 2.66 0.00 -1.93 0.29 103.07 113.66 1nbb h GLY 104 Ca 0.12 -0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.15 1nbb h GLY 104 CO 0.86 0.00 -1.35 0.00 0.00 0.00 0.00 176.54 176.05 1nbb h ALA 105 N 1.71 -0.05 -0.33 3.60 0.00 -1.96 -2.49 119.26 119.74 1nbb h ALA 105 Ca 0.28 -0.90 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1nbb h ALA 105 Cb 1.10 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1nbb h ALA 105 CO -0.00 0.69 0.10 0.00 0.00 0.00 0.00 179.25 180.03 1nbb h ALA 106 N 0.10 0.43 -0.94 0.00 0.00 -1.62 -2.21 119.26 115.02 1nbb h ALA 106 Ca -0.25 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1nbb h ALA 106 Cb 1.97 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.58 1nbb h ALA 106 CO 0.20 0.07 0.61 0.35 0.00 0.00 0.00 179.25 180.48 1nbb h PHE 107 N 0.38 1.15 -0.20 0.00 3.57 -0.57 0.89 116.94 122.16 1nbb h PHE 107 Ca 0.11 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 1nbb h PHE 107 Cb 0.25 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1nbb h PHE 107 CO 0.01 0.67 -0.29 0.78 -2.23 0.00 0.00 178.31 177.25 1nbb h GLY 108 N 1.20 0.43 0.78 2.40 0.00 -1.18 -1.41 103.07 105.29 1nbb h GLY 108 Ca 0.37 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 1nbb h GLY 108 CO -0.12 0.33 -0.36 0.00 0.00 0.00 0.00 176.54 176.39 1nbb h ALA 109 N 1.35 0.19 -0.68 3.60 0.00 -0.63 -3.11 119.26 119.98 1nbb h ALA 109 Ca 0.05 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1nbb h ALA 109 Cb 0.69 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1nbb h ALA 109 CO 0.05 0.27 0.30 0.00 0.00 0.00 0.00 179.25 179.87 1nbb h ALA 110 N 0.48 1.26 -0.80 0.00 0.00 -0.73 -2.56 119.26 116.91 1nbb h ALA 110 Ca -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1nbb h ALA 110 Cb 0.99 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1nbb h ALA 110 CO 0.08 0.56 0.48 1.25 0.00 0.00 0.00 179.25 181.62 1nbb h LEU 111 N 0.97 0.96 -0.28 0.00 5.85 -1.28 -0.16 115.31 121.38 1nbb h LEU 111 Ca 0.23 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1nbb h LEU 111 Cb 0.14 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1nbb h LEU 111 CO -0.03 0.74 0.08 1.56 -0.34 0.00 0.00 178.44 180.46 1nbb h GLN 112 N 1.11 0.43 -0.50 1.25 1.08 -1.39 0.11 115.11 117.19 1nbb h GLN 112 Ca 0.29 -0.10 0.03 0.00 -1.45 0.00 0.00 58.65 57.42 1nbb h GLN 112 Cb -0.04 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 1nbb h GLN 112 CO -0.05 0.50 0.29 -0.22 -0.95 0.00 0.00 178.83 178.40 1nbb h LYS 113 N 0.28 0.56 -0.02 1.46 1.63 -1.12 -0.23 116.57 119.14 1nbb h LYS 113 Ca 0.09 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1nbb h LYS 113 Cb 0.25 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1nbb h LYS 113 CO -0.00 0.37 0.01 1.25 -3.45 0.00 0.00 179.45 177.63 1nbb h LEU 114 N 0.58 0.02 -1.44 5.20 5.85 -0.76 -2.08 115.31 122.68 1nbb h LEU 114 Ca 0.20 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.91 1nbb h LEU 114 Cb 0.04 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 1nbb h LEU 114 CO -0.10 0.11 0.47 1.23 -0.34 0.00 0.00 178.44 179.81 1nbb h GLY 115 N -0.07 0.88 1.07 3.75 0.00 -0.66 0.58 103.07 108.62 1nbb h GLY 115 Ca 0.01 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.09 1nbb h GLY 115 CO -0.00 0.17 0.61 -1.33 0.00 0.00 0.00 176.54 175.98 1nbb h GLY 116 N 0.65 1.30 1.93 4.60 0.00 -0.36 -2.41 103.07 108.77 1nbb h GLY 116 Ca 0.32 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 1nbb h GLY 116 CO -0.11 0.45 -0.51 -0.91 0.00 0.00 0.00 176.54 175.46 1nbb h THR 117 N 1.22 1.36 -0.01 4.70 1.35 -0.48 -1.56 112.91 119.49 1nbb h THR 117 Ca 0.34 -1.74 -0.00 0.00 -0.55 0.00 0.00 66.41 64.46 1nbb h THR 117 Cb -0.10 1.91 -0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1nbb h THR 117 CO -0.08 0.50 0.00 0.00 -0.25 0.00 0.00 175.52 175.69 1nbb h LYS 119 N -0.18 1.21 -0.82 0.00 3.64 -1.36 -1.26 116.57 117.81 1nbb h LYS 119 Ca 0.00 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1nbb h LYS 119 Cb 0.19 -0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 31.70 1nbb h LYS 119 CO -0.00 0.84 0.51 0.00 -2.27 0.00 0.00 179.45 178.54 1nbb h ALA 120 N 1.30 1.09 0.03 5.00 0.00 -1.22 0.26 119.26 125.71 1nbb h ALA 120 Ca 0.32 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1nbb h ALA 120 Cb -0.06 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.49 1nbb h ALA 120 CO -0.06 0.29 -0.22 0.00 0.00 0.00 0.00 179.25 179.26 1nbb h HIS 122 N -0.78 1.11 -0.67 0.00 -0.00 -1.10 0.13 115.15 113.85 1nbb h HIS 122 Ca -0.04 0.03 0.11 0.00 -0.00 0.00 0.00 60.37 60.47 1nbb h HIS 122 Cb 1.14 -0.35 -0.08 0.00 -0.00 0.00 0.00 27.41 28.11 1nbb h HIS 122 CO 0.24 0.45 0.27 -0.44 -0.00 0.00 0.00 177.93 178.45 1nbb h ASP 123 N 0.98 0.27 0.41 2.45 5.19 -0.57 -2.04 116.42 123.11 1nbb h ASP 123 Ca 0.49 0.09 -0.15 0.00 -0.62 0.00 0.00 57.03 56.84 1nbb h ASP 123 Cb 0.48 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.03 1nbb h ASP 123 CO -0.25 0.14 -1.72 0.47 -3.12 0.00 0.00 179.24 174.76 1nbb n ASP 124 N -4.98 0.46 0.00 6.45 8.00 -0.72 -4.73 116.55 121.03 1nbb n ASP 124 Ca 0.11 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.80 1nbb n ASP 124 Cb 0.32 0.85 0.00 0.00 -0.02 0.00 0.00 41.12 42.27 1nbb n ASP 124 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1nbb n TYR 125 N -2.67 0.00 -4.25 1.24 4.01 0.36 -4.90 117.16 110.95 1nbb n TYR 125 Ca -0.12 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.32 1nbb n TYR 125 Cb 0.80 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.74 1nbb n TYR 125 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1nbb s ARG 126 N -0.15 2.31 -0.08 -0.72 3.52 -0.78 -0.85 118.95 122.20 1nbb s ARG 126 Ca 0.00 -0.92 -0.12 0.00 -0.13 0.00 0.00 55.73 54.56 1nbb s ARG 126 Cb 0.00 -2.40 -0.05 0.00 -1.56 0.00 0.00 34.95 30.94 1nbb s ARG 126 CO 0.00 0.53 0.30 -2.00 -0.81 0.00 0.00 175.30 173.33 1nbb s GLU 127 N -2.07 3.89 0.01 5.12 -6.30 -0.56 -4.84 118.70 113.95 1nbb s GLU 127 Ca 0.22 0.17 -0.25 0.00 -2.50 0.00 0.00 54.97 52.61 1nbb s GLU 127 Cb -0.11 -3.28 -0.17 0.00 0.00 0.00 0.00 34.13 30.58 1nbb s GLU 127 CO 0.14 0.58 1.24 1.05 0.02 0.00 0.00 175.26 178.28 1nbb h GLU 128 N 5.39 -0.40 0.00 4.30 9.09 -1.95 -3.48 114.58 127.53 1nbb h GLU 128 Ca -0.49 0.03 0.00 0.00 0.05 0.00 0.00 59.36 58.94 1nbb h GLU 128 Cb 1.21 0.09 0.00 0.00 -1.65 0.00 0.00 28.75 28.40 1nbb h GLU 128 CO 0.65 -0.08 0.00 -0.40 0.05 0.00 0.00 179.01 179.23