#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cpq s ASP 2 N 0.00 5.73 0.08 0.00 -1.08 -1.26 -4.85 116.67 115.30 1cpq s ASP 2 Ca 0.00 -1.63 -0.04 0.00 -0.52 0.00 0.00 52.55 50.36 1cpq s ASP 2 Cb 0.00 -2.58 0.11 0.00 -1.46 0.00 0.00 42.92 39.00 1cpq s ASP 2 CO 0.00 -2.29 0.51 1.07 0.52 0.00 0.00 175.17 174.98 1cpq n THR 3 N 7.33 -0.16 -0.25 1.71 5.66 -1.26 -2.34 114.28 124.97 1cpq n THR 3 Ca 0.43 0.77 -0.01 0.00 -3.05 0.00 0.00 64.05 62.19 1cpq n THR 3 Cb 0.47 -1.04 0.06 0.00 -1.55 0.00 0.00 70.33 68.28 1cpq n THR 3 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1cpq h LYS 4 N 0.00 -0.05 -0.28 1.09 1.57 -2.01 -2.32 116.57 114.58 1cpq h LYS 4 Ca 0.14 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 1cpq h LYS 4 Cb 0.22 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1cpq h LYS 4 CO -0.33 -0.03 -0.41 1.49 -0.57 0.00 0.00 179.45 179.59 1cpq h GLU 5 N -0.05 0.68 -0.65 3.15 4.57 -1.89 -2.56 114.58 117.83 1cpq h GLU 5 Ca 0.32 -0.36 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 1cpq h GLU 5 Cb 0.55 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 1cpq h GLU 5 CO -0.75 0.97 0.15 -0.39 -1.18 0.00 0.00 179.01 177.80 1cpq h VAL 6 N 0.55 1.25 -0.63 0.32 -1.51 -1.56 0.32 116.25 114.99 1cpq h VAL 6 Ca 0.04 -0.94 -0.03 0.00 -1.23 0.00 0.00 66.70 64.54 1cpq h VAL 6 Cb 0.95 0.59 -0.03 0.00 -2.13 0.00 0.00 31.29 30.67 1cpq h VAL 6 CO 0.09 0.36 0.26 -0.07 -1.23 0.00 0.00 177.57 176.97 1cpq h LEU 7 N 0.98 0.87 -0.35 4.19 4.07 -1.36 -0.54 115.31 123.17 1cpq h LEU 7 Ca 0.21 -0.17 -0.04 0.00 0.08 0.00 0.00 57.88 57.96 1cpq h LEU 7 Cb 0.36 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 1cpq h LEU 7 CO 0.00 0.79 0.06 -0.33 -1.08 0.00 0.00 178.44 177.89 1cpq h GLU 8 N 0.88 0.57 -0.22 1.13 5.08 -1.13 -2.17 114.58 118.73 1cpq h GLU 8 Ca 0.21 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1cpq h GLU 8 Cb 0.19 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1cpq h GLU 8 CO -0.02 0.65 0.13 0.00 -1.00 0.00 0.00 179.01 178.77 1cpq h ALA 9 N 0.90 0.28 -0.03 3.43 0.00 -0.57 -1.17 119.26 122.09 1cpq h ALA 9 Ca 0.11 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1cpq h ALA 9 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1cpq h ALA 9 CO 0.01 -0.21 -0.64 0.07 0.00 0.00 0.00 179.25 178.47 1cpq h ARG 10 N 0.26 0.11 -0.12 0.00 0.11 -1.11 -1.52 114.38 112.12 1cpq h ARG 10 Ca 0.08 -0.08 -0.14 0.00 0.10 0.00 0.00 59.98 59.93 1cpq h ARG 10 Cb 0.03 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.11 1cpq h ARG 10 CO -0.01 0.71 -0.53 0.93 0.10 0.00 0.00 179.97 181.17 1cpq h GLU 11 N 0.08 0.35 -0.49 0.08 5.08 -1.26 -1.60 114.58 116.82 1cpq h GLU 11 Ca -0.01 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 1cpq h GLU 11 Cb 1.14 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1cpq h GLU 11 CO 0.09 0.79 -0.13 0.00 -1.00 0.00 0.00 179.01 178.77 1cpq h ALA 12 N 1.17 0.68 -0.12 3.43 0.00 -0.96 -0.54 119.26 122.91 1cpq h ALA 12 Ca 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1cpq h ALA 12 Cb 1.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1cpq h ALA 12 CO 0.09 0.60 0.05 -0.92 0.00 0.00 0.00 179.25 179.07 1cpq h TYR 13 N 0.81 0.18 -0.13 0.00 3.20 -1.06 -1.27 116.97 118.70 1cpq h TYR 13 Ca 0.12 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.87 1cpq h TYR 13 Cb 0.69 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1cpq h TYR 13 CO 0.05 0.27 -0.40 0.74 -1.64 0.00 0.00 178.16 177.17 1cpq h PHE 14 N 0.05 0.35 -0.39 -3.82 0.04 -1.20 -1.77 116.94 110.20 1cpq h PHE 14 Ca 0.04 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 1cpq h PHE 14 Cb 0.16 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 1cpq h PHE 14 CO -0.02 0.66 0.12 0.87 -0.60 0.00 0.00 178.31 179.35 1cpq h LYS 15 N 0.25 0.61 -0.28 1.51 1.57 -0.96 0.62 116.57 119.88 1cpq h LYS 15 Ca 0.02 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 1cpq h LYS 15 Cb 0.82 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1cpq h LYS 15 CO 0.07 0.61 -0.14 0.66 -0.57 0.00 0.00 179.45 180.08 1cpq h SER 16 N 0.49 0.46 -0.54 0.86 4.64 -1.00 -1.23 113.55 117.23 1cpq h SER 16 Ca 0.13 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 1cpq h SER 16 Cb 0.25 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1cpq h SER 16 CO -0.00 0.63 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.50 1cpq h LEU 17 N 0.44 0.95 -0.50 5.97 3.38 -1.00 -0.83 115.31 123.71 1cpq h LEU 17 Ca 0.08 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1cpq h LEU 17 Cb 0.50 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1cpq h LEU 17 CO 0.03 1.03 0.32 1.23 0.09 0.00 0.00 178.44 181.14 1cpq h GLY 18 N 0.84 0.72 1.03 0.83 0.00 -0.29 -0.21 103.07 105.99 1cpq h GLY 18 Ca 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1cpq h GLY 18 CO 0.03 0.28 0.46 -1.33 0.00 0.00 0.00 176.54 175.98 1cpq h GLY 19 N 0.68 1.34 0.94 4.60 0.00 -0.98 -0.81 103.07 108.84 1cpq h GLY 19 Ca 0.18 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1cpq h GLY 19 CO -0.04 0.61 0.13 0.23 0.00 0.00 0.00 176.54 177.47 1cpq h SER 20 N 1.25 0.57 -0.75 0.19 0.87 -0.76 -1.51 113.55 113.41 1cpq h SER 20 Ca 0.31 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1cpq h SER 20 Cb 0.07 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 1cpq h SER 20 CO -0.04 0.62 0.38 -0.03 -0.53 0.00 0.00 176.83 177.22 1cpq h MET 21 N 0.50 1.07 -0.46 2.24 -1.53 -0.48 -1.22 114.93 115.05 1cpq h MET 21 Ca 0.13 -0.15 -0.01 0.00 -3.44 0.00 0.00 59.70 56.23 1cpq h MET 21 Cb 0.25 -0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 31.08 1cpq h MET 21 CO -0.01 0.82 0.23 -0.22 0.14 0.00 0.00 176.91 177.87 1cpq h LYS 22 N 1.05 0.65 -0.36 0.39 3.64 -1.00 -1.82 116.57 119.12 1cpq h LYS 22 Ca 0.26 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1cpq h LYS 22 Cb 0.09 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1cpq h LYS 22 CO -0.04 0.54 -0.10 0.00 -2.27 0.00 0.00 179.45 177.59 1cpq h ALA 23 N 1.07 0.49 0.00 5.00 0.00 -0.91 -2.90 119.26 122.01 1cpq h ALA 23 Ca 0.16 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1cpq h ALA 23 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1cpq h ALA 23 CO -0.02 0.35 -0.29 0.52 0.00 0.00 0.00 179.25 179.82 1cpq h MET 24 N 0.49 0.00 -0.58 0.00 2.86 -1.13 -2.10 114.93 114.47 1cpq h MET 24 Ca 0.09 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.63 1cpq h MET 24 Cb 0.61 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 1cpq h MET 24 CO 0.04 0.29 -0.03 1.15 1.06 0.00 0.00 176.91 179.42 1cpq h THR 25 N 0.00 1.26 -0.44 2.22 2.02 -1.14 0.12 112.91 116.95 1cpq h THR 25 Ca -0.00 -1.17 -0.04 0.00 0.77 0.00 0.00 66.41 65.97 1cpq h THR 25 Cb 0.53 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1cpq h THR 25 CO 0.04 0.42 0.13 1.23 0.37 0.00 0.00 175.52 177.70 1cpq h GLY 26 N 0.98 0.75 0.99 2.16 0.00 -1.26 -1.93 103.07 104.77 1cpq h GLY 26 Ca 0.16 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1cpq h GLY 26 CO 0.03 0.43 0.34 -2.08 0.00 0.00 0.00 176.54 175.26 1cpq h VAL 27 N 0.58 1.18 -0.16 4.60 2.07 -1.10 -1.95 116.25 121.46 1cpq h VAL 27 Ca 0.14 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1cpq h VAL 27 Cb 0.29 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1cpq h VAL 27 CO -0.00 0.18 0.11 0.00 0.02 0.00 0.00 177.57 177.88 1cpq h ALA 28 N 1.17 1.89 0.00 1.67 0.00 -0.70 0.76 119.26 124.04 1cpq h ALA 28 Ca 0.21 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1cpq h ALA 28 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1cpq h ALA 28 CO -0.04 0.11 -0.49 0.87 0.00 0.00 0.00 179.25 179.70 1cpq h LYS 29 N 0.22 0.00 -1.84 0.00 1.57 -0.57 -3.35 116.57 112.60 1cpq h LYS 29 Ca 0.06 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.32 1cpq h LYS 29 Cb -0.02 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 31.93 1cpq h LYS 29 CO -0.01 0.49 -1.02 0.00 -0.57 0.00 0.00 179.45 178.33 1cpq n ALA 30 N -2.38 2.03 -1.61 3.86 0.00 -0.50 -5.11 120.51 116.79 1cpq n ALA 30 Ca -0.01 -3.11 -0.51 0.00 0.00 0.00 0.00 53.44 49.81 1cpq n ALA 30 Cb 0.54 -0.87 -0.06 0.00 0.00 0.00 0.00 19.45 19.06 1cpq n ALA 30 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1cpq n PHE 31 N 1.67 1.64 -3.64 0.00 7.35 0.14 -4.77 117.46 119.85 1cpq n PHE 31 Ca 0.21 0.58 -0.20 0.00 -0.76 0.00 0.00 57.45 57.28 1cpq n PHE 31 Cb 0.53 -2.37 -0.17 0.00 0.35 0.00 0.00 39.48 37.83 1cpq n PHE 31 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1cpq s ASP 32 N 0.66 1.31 0.22 -2.13 2.15 -1.26 -5.06 116.67 112.56 1cpq s ASP 32 Ca 0.84 -0.02 -0.07 0.00 0.43 0.00 0.00 52.55 53.73 1cpq s ASP 32 Cb -0.92 -0.02 0.32 0.00 -0.30 0.00 0.00 42.92 42.00 1cpq s ASP 32 CO 0.46 -0.27 1.79 0.00 -0.17 0.00 0.00 175.17 176.97 1cpq h ALA 33 N 8.41 0.97 -0.45 3.66 0.00 -1.93 -0.17 119.26 129.76 1cpq h ALA 33 Ca -0.13 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1cpq h ALA 33 Cb 1.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1cpq h ALA 33 CO 0.19 -0.01 -0.27 0.93 0.00 0.00 0.00 179.25 180.09 1cpq h GLU 34 N 0.64 0.96 -0.60 0.00 5.08 -1.97 -1.21 114.58 117.47 1cpq h GLU 34 Ca 0.34 -0.44 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1cpq h GLU 34 Cb 0.32 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1cpq h GLU 34 CO -0.24 1.10 0.06 0.00 -1.00 0.00 0.00 179.01 178.93 1cpq h ALA 35 N 0.87 0.81 -0.43 3.43 0.00 -1.92 -1.62 119.26 120.40 1cpq h ALA 35 Ca 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1cpq h ALA 35 Cb 0.85 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1cpq h ALA 35 CO 0.07 0.60 0.24 0.00 0.00 0.00 0.00 179.25 180.17 1cpq h ALA 36 N 1.00 0.55 -0.33 0.00 0.00 -0.83 -1.71 119.26 117.93 1cpq h ALA 36 Ca 0.18 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1cpq h ALA 36 Cb 0.48 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1cpq h ALA 36 CO 0.02 0.05 -0.10 0.87 0.00 0.00 0.00 179.25 180.09 1cpq h LYS 37 N 0.56 0.57 -0.41 0.00 1.57 -1.06 0.24 116.57 118.04 1cpq h LYS 37 Ca 0.15 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1cpq h LYS 37 Cb 0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1cpq h LYS 37 CO -0.03 0.67 -0.16 -0.39 -0.57 0.00 0.00 179.45 178.97 1cpq h VAL 38 N 0.53 1.28 -0.37 0.50 -1.51 -0.95 -1.26 116.25 114.46 1cpq h VAL 38 Ca 0.10 -1.28 -0.14 0.00 -1.23 0.00 0.00 66.70 64.15 1cpq h VAL 38 Cb 0.49 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.88 1cpq h VAL 38 CO 0.03 0.43 -0.31 -0.33 -1.23 0.00 0.00 177.57 176.16 1cpq h GLU 39 N 0.65 0.82 -0.75 5.19 4.39 -1.05 -2.86 114.58 120.98 1cpq h GLU 39 Ca 0.10 -0.38 -0.03 0.00 0.34 0.00 0.00 59.36 59.38 1cpq h GLU 39 Cb 0.70 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.31 1cpq h GLU 39 CO 0.05 1.02 0.34 0.00 -1.16 0.00 0.00 179.01 179.26 1cpq h ALA 40 N 0.95 0.96 -0.98 3.43 0.00 -0.80 -0.64 119.26 122.18 1cpq h ALA 40 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1cpq h ALA 40 Cb 0.86 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1cpq h ALA 40 CO 0.08 0.55 0.63 0.00 0.00 0.00 0.00 179.25 180.50 1cpq h ALA 41 N 1.17 1.24 -0.04 0.00 0.00 -1.12 0.13 119.26 120.64 1cpq h ALA 41 Ca 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1cpq h ALA 41 Cb 0.15 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1cpq h ALA 41 CO -0.03 0.65 -0.01 -0.22 0.00 0.00 0.00 179.25 179.65 1cpq h LYS 42 N 1.33 0.08 -0.85 0.00 3.64 -1.22 -2.99 116.57 116.56 1cpq h LYS 42 Ca 0.36 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.77 1cpq h LYS 42 Cb -0.12 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.64 1cpq h LYS 42 CO -0.07 0.42 0.55 1.25 -2.27 0.00 0.00 179.45 179.32 1cpq h LEU 43 N -0.27 0.83 -0.67 5.20 5.85 -0.73 -2.00 115.31 123.53 1cpq h LEU 43 Ca 0.01 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1cpq h LEU 43 Cb 0.39 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 1cpq h LEU 43 CO 0.00 0.54 0.40 -0.08 -0.34 0.00 0.00 178.44 178.97 1cpq h GLU 44 N 0.95 0.75 -0.35 1.25 4.81 -0.63 -0.55 114.58 120.80 1cpq h GLU 44 Ca 0.36 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.47 1cpq h GLU 44 Cb 0.21 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1cpq h GLU 44 CO -0.13 0.50 -0.07 0.87 -0.73 0.00 0.00 179.01 179.44 1cpq h LYS 45 N 0.77 0.67 -0.46 1.92 1.79 -1.24 -3.07 116.57 116.95 1cpq h LYS 45 Ca 0.28 -0.25 0.03 0.00 -2.18 0.00 0.00 60.65 58.53 1cpq h LYS 45 Cb 0.09 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.66 1cpq h LYS 45 CO -0.14 0.83 0.25 0.82 -1.08 0.00 0.00 179.45 180.13 1cpq h ILE 46 N 0.46 1.01 0.00 1.86 2.04 -0.88 -1.47 117.51 120.53 1cpq h ILE 46 Ca 0.09 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1cpq h ILE 46 Cb 0.57 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1cpq h ILE 46 CO 0.03 0.09 0.00 0.18 0.00 0.00 0.00 178.15 178.45 1cpq n LEU 47 N -4.86 0.00 0.09 1.44 4.77 -0.26 -1.84 117.00 116.33 1cpq n LEU 47 Ca 0.03 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 1cpq n LEU 47 Cb 0.09 -0.49 0.38 0.00 -2.33 0.00 0.00 43.42 41.08 1cpq n LEU 47 CO 0.31 -0.34 0.80 0.00 -1.33 0.00 0.00 177.39 176.83 1cpq n ALA 48 N -1.49 2.42 -1.92 -1.18 0.00 -0.55 -4.87 120.51 112.93 1cpq n ALA 48 Ca 0.02 -0.07 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 1cpq n ALA 48 Cb 0.10 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 1cpq n ALA 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cpq s THR 49 N -3.10 2.78 -0.50 0.00 2.01 -0.77 -4.97 115.64 111.09 1cpq s THR 49 Ca 0.10 0.64 -0.18 0.00 0.31 0.00 0.00 61.69 62.56 1cpq s THR 49 Cb 0.13 -3.41 0.06 0.00 0.01 0.00 0.00 72.50 69.30 1cpq s THR 49 CO 0.61 0.09 0.57 -0.62 -0.69 0.00 0.00 174.62 174.59 1cpq s ASP 50 N 0.45 6.20 0.00 3.53 -1.08 -1.26 -4.92 116.67 119.59 1cpq s ASP 50 Ca 0.60 -1.02 0.27 0.00 -0.52 0.00 0.00 52.55 51.88 1cpq s ASP 50 Cb -0.41 -2.26 0.79 0.00 -1.46 0.00 0.00 42.92 39.58 1cpq s ASP 50 CO 0.41 -0.83 1.59 1.33 0.52 0.00 0.00 175.17 178.19 1cpq n VAL 51 N 5.51 0.00 -0.12 1.11 0.24 -1.26 -4.31 118.33 119.50 1cpq n VAL 51 Ca -0.08 -0.09 -0.05 0.00 -2.04 0.00 0.00 64.34 62.07 1cpq n VAL 51 Cb 0.45 0.28 0.01 0.00 -1.47 0.00 0.00 33.84 33.11 1cpq n VAL 51 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cpq h ALA 52 N 3.54 0.10 0.00 2.33 0.00 -1.97 0.17 119.26 123.42 1cpq h ALA 52 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1cpq h ALA 52 Cb 0.48 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1cpq h ALA 52 CO 0.00 -0.56 0.00 -1.35 0.00 0.00 0.00 179.25 177.34 1cpq h PRO 53 N -0.12 0.00 -0.00 0.00 0.11 -2.03 -0.90 132.00 129.06 1cpq h PRO 53 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1cpq h PRO 53 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1cpq h PRO 53 CO -0.49 0.00 -0.06 1.28 -0.21 0.00 0.00 178.00 178.52 1cpq n LEU 54 N -2.64 0.16 -2.82 2.35 4.77 0.59 -4.11 117.00 115.30 1cpq n LEU 54 Ca -0.02 0.23 -0.28 0.00 -0.03 0.00 0.00 56.01 55.91 1cpq n LEU 54 Cb 0.07 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.84 1cpq n LEU 54 CO 0.15 0.03 0.28 0.49 -1.33 0.00 0.00 177.39 177.01 1cpq n PHE 55 N -1.25 3.74 -2.42 -1.77 3.72 -0.34 -4.77 117.46 114.37 1cpq n PHE 55 Ca 0.12 -3.57 -0.35 0.00 -0.05 0.00 0.00 57.45 53.60 1cpq n PHE 55 Cb 0.28 -0.41 -0.02 0.00 -0.94 0.00 0.00 39.48 38.38 1cpq n PHE 55 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1cpq s PRO 56 N -3.57 3.71 0.49 -1.08 0.04 -1.26 -4.96 135.00 128.37 1cpq s PRO 56 Ca 0.48 1.51 -0.23 0.00 0.04 0.00 0.00 61.00 62.80 1cpq s PRO 56 Cb 0.32 -2.16 -0.08 0.00 0.04 0.00 0.00 34.50 32.62 1cpq s PRO 56 CO -0.17 -0.53 1.15 0.00 0.04 0.00 0.00 177.00 177.49 1cpq n ALA 57 N -0.90 0.80 -0.40 8.56 0.00 -1.26 -3.33 120.51 123.99 1cpq n ALA 57 Ca 0.09 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1cpq n ALA 57 Cb 0.51 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1cpq n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cpq n GLY 58 N 1.01 0.78 0.63 0.00 0.00 -1.26 -4.81 105.19 101.54 1cpq n GLY 58 Ca 0.10 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.02 1cpq n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cpq n THR 59 N -2.40 2.17 -2.15 2.61 -2.24 -1.21 -4.75 114.28 106.31 1cpq n THR 59 Ca 0.00 -3.21 -0.27 0.00 -2.27 0.00 0.00 64.05 58.30 1cpq n THR 59 Cb 0.00 -0.22 0.09 0.00 -2.10 0.00 0.00 70.33 68.10 1cpq n THR 59 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1cpq s SER 60 N -3.22 4.47 0.54 3.42 1.04 -1.26 -4.79 113.70 113.89 1cpq s SER 60 Ca 0.38 0.40 0.36 0.00 0.48 0.00 0.00 55.95 57.57 1cpq s SER 60 Cb 0.37 -0.91 1.79 0.00 0.10 0.00 0.00 66.02 67.37 1cpq s SER 60 CO -0.07 -1.84 2.08 0.77 0.98 0.00 0.00 173.24 175.16 1cpq h SER 61 N -0.82 0.00 0.70 7.02 4.64 -0.83 0.39 113.55 124.65 1cpq h SER 61 Ca -0.44 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.62 1cpq h SER 61 Cb 1.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 1cpq h SER 61 CO 0.56 0.00 -1.30 0.74 -0.87 0.00 0.00 176.83 175.96 1cpq h THR 62 N 0.00 1.39 0.18 2.95 2.02 -1.92 -2.92 112.91 114.61 1cpq h THR 62 Ca 0.00 -3.07 -0.30 0.00 0.77 0.00 0.00 66.41 63.80 1cpq h THR 62 Cb 0.17 2.78 0.02 0.00 -1.74 0.00 0.00 68.15 69.39 1cpq h THR 62 CO 0.00 0.85 -1.35 0.44 0.37 0.00 0.00 175.52 175.83 1cpq h ASP 63 N 0.03 0.67 -2.31 4.18 3.32 -1.41 -3.39 116.42 117.50 1cpq h ASP 63 Ca -0.14 -0.70 -0.59 0.00 0.02 0.00 0.00 57.03 55.62 1cpq h ASP 63 Cb 1.92 -0.22 -0.41 0.00 0.22 0.00 0.00 39.33 40.84 1cpq h ASP 63 CO 0.15 1.54 -0.78 0.18 -1.72 0.00 0.00 179.24 178.61 1cpq n LEU 64 N -3.65 2.12 -4.61 1.55 4.77 -0.04 -4.96 117.00 112.18 1cpq n LEU 64 Ca -0.13 -5.07 -0.50 0.00 -0.03 0.00 0.00 56.01 50.28 1cpq n LEU 64 Cb 1.05 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.92 1cpq n LEU 64 CO 0.57 1.99 0.98 -0.81 -1.33 0.00 0.00 177.39 178.79 1cpq n PRO 65 N 1.43 1.42 -0.87 3.23 -0.04 -1.10 -1.83 135.00 137.24 1cpq n PRO 65 Ca 0.26 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 1cpq n PRO 65 Cb 0.44 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1cpq n PRO 65 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cpq n GLY 66 N 2.76 0.46 0.22 0.55 0.00 -1.26 -4.82 105.19 103.10 1cpq n GLY 66 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 1cpq n GLY 66 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cpq n GLN 67 N -1.71 2.17 -3.47 1.61 6.02 -0.76 -5.03 117.38 116.21 1cpq n GLN 67 Ca 0.00 -0.57 -0.15 0.00 -0.01 0.00 0.00 57.00 56.27 1cpq n GLN 67 Cb 0.09 -1.08 -0.04 0.00 1.02 0.00 0.00 30.24 30.23 1cpq n GLN 67 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1cpq s THR 68 N -1.40 0.00 -0.90 5.09 -1.32 -1.25 -5.04 115.64 110.82 1cpq s THR 68 Ca 0.08 -0.01 0.14 0.00 -1.21 0.00 0.00 61.69 60.68 1cpq s THR 68 Cb 0.08 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.50 1cpq s THR 68 CO 0.26 -0.01 1.35 -0.62 -2.21 0.00 0.00 174.62 173.40 1cpq n GLU 69 N 0.19 2.97 -2.59 7.08 1.02 -1.26 -4.43 120.64 123.62 1cpq n GLU 69 Ca -0.18 -2.35 -0.43 0.00 -0.02 0.00 0.00 57.16 54.18 1cpq n GLU 69 Cb 0.61 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.54 1cpq n GLU 69 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cpq s ALA 70 N -1.44 3.53 0.49 0.62 0.00 -1.26 -0.68 121.76 123.02 1cpq s ALA 70 Ca 0.32 0.05 -0.21 0.00 0.00 0.00 0.00 51.96 52.12 1cpq s ALA 70 Cb 0.20 -3.66 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 1cpq s ALA 70 CO 0.17 -1.43 1.12 0.15 0.00 0.00 0.00 175.76 175.77 1cpq s LYS 71 N 3.64 3.63 0.50 0.00 1.02 -0.72 -0.24 119.74 127.57 1cpq s LYS 71 Ca 0.47 1.61 0.16 0.00 0.02 0.00 0.00 55.97 58.24 1cpq s LYS 71 Cb -0.14 -2.19 1.21 0.00 -0.52 0.00 0.00 37.83 36.19 1cpq s LYS 71 CO 0.15 -0.62 2.09 0.00 -0.92 0.00 0.00 175.35 176.05 1cpq h ALA 72 N 1.64 2.06 -1.09 5.17 0.00 -1.94 -1.67 119.26 123.43 1cpq h ALA 72 Ca -0.50 -0.01 0.31 0.00 0.00 0.00 0.00 54.91 54.72 1cpq h ALA 72 Cb 1.25 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1cpq h ALA 72 CO 0.59 -0.11 0.77 0.00 0.00 0.00 0.00 179.25 180.51 1cpq h ALA 73 N 1.88 2.93 -0.68 0.00 0.00 -1.91 -1.54 119.26 119.94 1cpq h ALA 73 Ca 0.10 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1cpq h ALA 73 Cb 0.25 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 1cpq h ALA 73 CO -0.01 -1.26 0.28 0.82 0.00 0.00 0.00 179.25 179.08 1cpq h ILE 74 N 0.06 0.75 0.00 0.00 2.04 -1.64 0.02 117.51 118.74 1cpq h ILE 74 Ca 0.53 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 66.23 1cpq h ILE 74 Cb 2.02 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1cpq h ILE 74 CO -0.05 0.08 -0.09 0.79 0.00 0.00 0.00 178.15 178.89 1cpq n TRP 75 N -4.97 0.88 0.14 1.37 8.01 -0.59 -2.11 117.44 120.18 1cpq n TRP 75 Ca 0.11 0.26 0.09 0.00 -1.31 0.00 0.00 57.50 56.65 1cpq n TRP 75 Cb 0.31 -0.90 0.05 0.00 -2.01 0.00 0.00 31.31 28.76 1cpq n TRP 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1cpq h ALA 76 N 2.52 0.70 -1.43 6.99 0.00 -1.12 -3.37 119.26 123.55 1cpq h ALA 76 Ca 0.00 -0.16 -0.46 0.00 0.00 0.00 0.00 54.91 54.29 1cpq h ALA 76 Cb 0.74 0.03 -0.41 0.00 0.00 0.00 0.00 17.79 18.15 1cpq h ALA 76 CO 0.00 0.19 -1.03 0.09 0.00 0.00 0.00 179.25 178.49 1cpq n ASN 77 N -2.91 2.40 -0.32 0.00 3.02 -0.15 -4.96 115.26 112.35 1cpq n ASN 77 Ca 0.00 -3.10 0.07 0.00 -0.03 0.00 0.00 54.58 51.52 1cpq n ASN 77 Cb 0.60 -0.53 0.27 0.00 -0.61 0.00 0.00 39.78 39.51 1cpq n ASN 77 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 1cpq h MET 78 N 2.90 0.92 -0.46 3.52 4.05 -1.59 -0.86 114.93 123.41 1cpq h MET 78 Ca 0.06 -0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 1cpq h MET 78 Cb 1.02 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 31.59 1cpq h MET 78 CO 0.61 0.61 0.10 -0.44 0.23 0.00 0.00 176.91 178.02 1cpq h ASP 79 N 0.94 0.70 -0.51 1.39 3.32 -1.93 -1.01 116.42 119.34 1cpq h ASP 79 Ca 0.44 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 1cpq h ASP 79 Cb 0.42 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1cpq h ASP 79 CO -0.20 0.76 -0.06 -0.78 -1.72 0.00 0.00 179.24 177.25 1cpq h ASP 80 N 0.61 0.93 -0.81 6.45 3.58 -1.80 -0.68 116.42 124.70 1cpq h ASP 80 Ca 0.14 -0.33 0.05 0.00 0.42 0.00 0.00 57.03 57.31 1cpq h ASP 80 Cb 0.34 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 41.09 1cpq h ASP 80 CO 0.00 1.04 0.50 0.15 -2.88 0.00 0.00 179.24 178.06 1cpq h PHE 81 N 0.79 0.94 -0.22 0.28 3.57 -0.99 0.19 116.94 121.51 1cpq h PHE 81 Ca 0.14 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.55 1cpq h PHE 81 Cb 0.60 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1cpq h PHE 81 CO 0.04 0.51 -0.36 0.78 -2.23 0.00 0.00 178.31 177.05 1cpq h GLY 82 N 0.95 0.52 0.96 2.40 0.00 -0.89 -2.38 103.07 104.64 1cpq h GLY 82 Ca 0.34 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1cpq h GLY 82 CO -0.14 0.44 0.15 0.00 0.00 0.00 0.00 176.54 176.99 1cpq h ALA 83 N 1.21 0.62 -0.37 3.60 0.00 -0.08 -0.93 119.26 123.31 1cpq h ALA 83 Ca 0.04 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1cpq h ALA 83 Cb 0.82 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1cpq h ALA 83 CO 0.07 0.27 0.00 0.87 0.00 0.00 0.00 179.25 180.46 1cpq h LYS 84 N 0.63 0.58 -0.37 0.00 1.79 -0.88 -1.17 116.57 117.16 1cpq h LYS 84 Ca 0.15 -0.13 -0.15 0.00 -2.18 0.00 0.00 60.65 58.34 1cpq h LYS 84 Cb 0.27 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1cpq h LYS 84 CO -0.01 0.61 -0.36 0.78 -1.08 0.00 0.00 179.45 179.39 1cpq h GLY 85 N 0.87 0.94 1.46 3.86 0.00 -1.03 -2.70 103.07 106.48 1cpq h GLY 85 Ca 0.12 -0.93 -0.09 0.00 0.00 0.00 0.00 47.33 46.43 1cpq h GLY 85 CO 0.01 0.84 -0.13 1.70 0.00 0.00 0.00 176.54 178.97 1cpq h LYS 86 N 0.71 0.65 -0.73 4.80 3.64 -0.64 -2.17 116.57 122.82 1cpq h LYS 86 Ca 0.06 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1cpq h LYS 86 Cb 0.93 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.66 1cpq h LYS 86 CO 0.09 0.75 0.44 0.00 -2.27 0.00 0.00 179.45 178.46 1cpq h ALA 87 N 1.27 0.93 -0.45 5.00 0.00 -1.10 -0.88 119.26 124.03 1cpq h ALA 87 Ca 0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1cpq h ALA 87 Cb 0.56 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1cpq h ALA 87 CO 0.04 0.41 0.14 1.98 0.00 0.00 0.00 179.25 181.81 1cpq h MET 88 N 1.00 0.71 -0.71 0.00 1.85 -1.12 -0.47 114.93 116.18 1cpq h MET 88 Ca 0.26 -0.15 0.02 0.00 -0.61 0.00 0.00 59.70 59.22 1cpq h MET 88 Cb -0.03 -0.10 -0.04 0.00 0.43 0.00 0.00 31.60 31.86 1cpq h MET 88 CO -0.05 0.68 0.46 1.25 -0.40 0.00 0.00 176.91 178.85 1cpq h HIS 89 N 0.60 0.86 -0.16 1.39 6.17 -1.03 0.39 115.15 123.37 1cpq h HIS 89 Ca 0.15 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.23 1cpq h HIS 89 Cb 0.27 -0.28 -0.01 0.00 2.52 0.00 0.00 27.41 29.91 1cpq h HIS 89 CO 0.01 0.51 0.01 0.93 0.71 0.00 0.00 177.93 180.11 1cpq h GLU 90 N 0.91 0.27 -0.41 5.26 5.08 -0.93 -0.49 114.58 124.26 1cpq h GLU 90 Ca 0.27 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1cpq h GLU 90 Cb -0.03 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1cpq h GLU 90 CO -0.09 0.47 0.09 0.00 -1.00 0.00 0.00 179.01 178.49 1cpq h ALA 91 N 0.79 1.39 -0.26 3.43 0.00 -0.64 -2.00 119.26 121.98 1cpq h ALA 91 Ca 0.05 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1cpq h ALA 91 Cb 0.34 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1cpq h ALA 91 CO 0.01 0.44 -0.37 0.78 0.00 0.00 0.00 179.25 180.10 1cpq h GLY 92 N 0.83 0.64 1.26 0.00 0.00 -0.05 -2.13 103.07 103.61 1cpq h GLY 92 Ca 0.14 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 1cpq h GLY 92 CO -0.00 0.56 0.13 -1.33 0.00 0.00 0.00 176.54 175.90 1cpq h GLY 93 N 1.04 0.99 1.49 4.60 0.00 -0.50 -2.07 103.07 108.61 1cpq h GLY 93 Ca 0.05 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 46.70 1cpq h GLY 93 CO 0.07 0.56 -0.11 0.00 0.00 0.00 0.00 176.54 177.07 1cpq h ALA 94 N 1.26 1.15 -0.23 3.60 0.00 -1.00 -1.08 119.26 122.95 1cpq h ALA 94 Ca 0.19 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1cpq h ALA 94 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1cpq h ALA 94 CO 0.00 0.54 -0.10 0.28 0.00 0.00 0.00 179.25 179.97 1cpq h VAL 95 N 0.57 1.30 -0.36 0.00 2.07 -1.02 -2.41 116.25 116.39 1cpq h VAL 95 Ca 0.10 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.48 1cpq h VAL 95 Cb 0.52 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1cpq h VAL 95 CO 0.03 0.36 0.20 0.40 0.02 0.00 0.00 177.57 178.57 1cpq h ILE 96 N 0.19 1.01 -0.95 4.57 2.04 -1.17 -0.73 117.51 122.47 1cpq h ILE 96 Ca 0.05 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.81 1cpq h ILE 96 Cb 0.59 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 1cpq h ILE 96 CO 0.03 0.07 0.62 0.00 0.00 0.00 0.00 178.15 178.87 1cpq h ALA 97 N 1.18 1.25 -0.35 1.87 0.00 -1.19 -0.38 119.26 121.64 1cpq h ALA 97 Ca 0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1cpq h ALA 97 Cb 0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1cpq h ALA 97 CO -0.09 0.51 -0.07 0.00 0.00 0.00 0.00 179.25 179.60 1cpq h ALA 98 N 1.38 0.49 -0.60 0.00 0.00 -0.89 -1.24 119.26 118.40 1cpq h ALA 98 Ca 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1cpq h ALA 98 Cb -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1cpq h ALA 98 CO -0.11 0.32 0.28 0.00 0.00 0.00 0.00 179.25 179.74 1cpq h ALA 99 N 0.82 0.77 0.00 0.00 0.00 -0.73 -1.59 119.26 118.53 1cpq h ALA 99 Ca 0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1cpq h ALA 99 Cb 0.57 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1cpq h ALA 99 CO 0.03 0.34 -0.22 -0.91 0.00 0.00 0.00 179.25 178.49 1cpq h ASN 100 N 0.81 0.00 1.14 0.00 2.35 -0.88 -1.21 115.58 117.79 1cpq h ASN 100 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1cpq h ASN 100 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1cpq h ASN 100 CO -0.02 0.22 -0.24 0.00 -1.65 0.00 0.00 177.43 175.73 1cpq n ALA 101 N -2.28 2.59 -1.48 -0.83 0.00 -0.49 -4.93 120.51 113.10 1cpq n ALA 101 Ca -0.01 -0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.22 1cpq n ALA 101 Cb 0.36 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 1cpq n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cpq n GLY 102 N 1.36 0.73 3.45 0.00 0.00 -0.46 -4.99 105.19 105.28 1cpq n GLY 102 Ca 0.05 -0.65 -0.44 0.00 0.00 0.00 0.00 46.02 44.98 1cpq n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cpq s ASP 103 N -2.84 6.22 0.11 1.61 -1.08 -0.99 -4.93 116.67 114.77 1cpq s ASP 103 Ca 0.00 -0.92 -0.18 0.00 -0.52 0.00 0.00 52.55 50.93 1cpq s ASP 103 Cb 0.00 -2.27 -0.05 0.00 -1.46 0.00 0.00 42.92 39.14 1cpq s ASP 103 CO 0.00 -0.83 1.67 1.23 0.52 0.00 0.00 175.17 177.76 1cpq h GLY 104 N 9.52 0.47 1.11 2.66 0.00 -1.94 -0.58 103.07 114.30 1cpq h GLY 104 Ca -0.27 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 1cpq h GLY 104 CO 0.93 0.23 0.27 0.00 0.00 0.00 0.00 176.54 177.98 1cpq h ALA 105 N 0.98 1.07 -0.27 3.60 0.00 -1.98 -0.87 119.26 121.78 1cpq h ALA 105 Ca 0.10 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1cpq h ALA 105 Cb 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1cpq h ALA 105 CO -0.01 0.65 -0.44 0.00 0.00 0.00 0.00 179.25 179.45 1cpq h ALA 106 N 1.20 0.73 0.00 0.00 0.00 -1.93 -2.49 119.26 116.77 1cpq h ALA 106 Ca 0.25 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1cpq h ALA 106 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1cpq h ALA 106 CO -0.02 0.67 -0.00 0.35 0.00 0.00 0.00 179.25 180.25 1cpq h PHE 107 N 0.54 -0.00 -0.13 0.00 3.57 -0.62 -0.70 116.94 119.60 1cpq h PHE 107 Ca 0.04 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1cpq h PHE 107 Cb 0.98 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1cpq h PHE 107 CO 0.05 0.08 0.04 0.78 -2.23 0.00 0.00 178.31 177.03 1cpq h GLY 108 N -0.08 0.15 0.94 2.40 0.00 -1.15 0.05 103.07 105.38 1cpq h GLY 108 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.33 1cpq h GLY 108 CO 0.00 0.02 0.44 0.00 0.00 0.00 0.00 176.54 177.00 1cpq h ALA 109 N 1.08 0.89 -0.57 3.60 0.00 -1.38 -2.34 119.26 120.54 1cpq h ALA 109 Ca 0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1cpq h ALA 109 Cb 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1cpq h ALA 109 CO -0.06 0.25 -0.01 0.00 0.00 0.00 0.00 179.25 179.42 1cpq h ALA 110 N 1.27 0.90 -0.93 0.00 0.00 -0.88 -2.90 119.26 116.72 1cpq h ALA 110 Ca 0.27 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1cpq h ALA 110 Cb -0.04 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 1cpq h ALA 110 CO -0.08 0.65 0.61 1.25 0.00 0.00 0.00 179.25 181.68 1cpq h LEU 111 N 0.91 1.03 -0.25 0.00 5.85 -0.48 -1.20 115.31 121.17 1cpq h LEU 111 Ca 0.16 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1cpq h LEU 111 Cb 0.55 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1cpq h LEU 111 CO 0.03 0.72 0.17 1.56 -0.34 0.00 0.00 178.44 180.58 1cpq h GLN 112 N 1.21 0.33 -0.52 1.25 4.20 -1.25 -0.72 115.11 119.60 1cpq h GLN 112 Ca 0.36 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.09 1cpq h GLN 112 Cb -0.05 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 1cpq h GLN 112 CO -0.10 0.22 0.29 0.87 -0.67 0.00 0.00 178.83 179.44 1cpq h LYS 113 N 0.34 0.54 -0.32 1.46 1.79 -1.22 -1.00 116.57 118.16 1cpq h LYS 113 Ca 0.09 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1cpq h LYS 113 Cb -0.03 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.48 1cpq h LYS 113 CO -0.02 0.36 0.19 1.25 -1.08 0.00 0.00 179.45 180.16 1cpq h LEU 114 N 0.56 0.38 -0.89 2.94 5.85 -0.89 -2.37 115.31 120.90 1cpq h LEU 114 Ca 0.22 -0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.00 1cpq h LEU 114 Cb 0.09 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 1cpq h LEU 114 CO -0.13 0.32 0.53 1.23 -0.34 0.00 0.00 178.44 180.04 1cpq h GLY 115 N 0.41 1.40 1.56 3.75 0.00 -0.50 -0.70 103.07 108.99 1cpq h GLY 115 Ca 0.11 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.10 1cpq h GLY 115 CO -0.02 0.14 0.29 -1.33 0.00 0.00 0.00 176.54 175.63 1cpq h GLY 116 N 0.86 0.62 2.00 4.60 0.00 -0.69 -2.11 103.07 108.35 1cpq h GLY 116 Ca 0.43 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.42 1cpq h GLY 116 CO -0.25 0.22 -0.53 -0.91 0.00 0.00 0.00 176.54 175.07 1cpq h THR 117 N 0.60 1.31 -0.00 4.70 1.35 -0.79 0.29 112.91 120.36 1cpq h THR 117 Ca 0.16 -1.87 -0.00 0.00 -0.55 0.00 0.00 66.41 64.15 1cpq h THR 117 Cb -0.06 2.03 -0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1cpq h THR 117 CO -0.04 0.52 -0.00 0.00 -0.25 0.00 0.00 175.52 175.76 1cpq h LYS 119 N -0.32 0.44 -0.77 0.00 3.64 -1.30 -1.02 116.57 117.24 1cpq h LYS 119 Ca 0.00 -0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.46 1cpq h LYS 119 Cb 0.33 -0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 31.97 1cpq h LYS 119 CO 0.00 0.38 0.35 0.00 -2.27 0.00 0.00 179.45 177.92 1cpq h ALA 120 N 1.04 1.10 -0.00 5.00 0.00 -0.95 -0.22 119.26 125.23 1cpq h ALA 120 Ca 0.11 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 1cpq h ALA 120 Cb 0.07 0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1cpq h ALA 120 CO -0.02 -0.13 -0.79 0.00 0.00 0.00 0.00 179.25 178.32 1cpq h HIS 122 N 0.11 1.18 -0.40 0.00 -0.00 -0.61 -0.43 115.15 114.99 1cpq h HIS 122 Ca -0.10 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.35 1cpq h HIS 122 Cb 1.47 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 28.47 1cpq h HIS 122 CO 0.13 0.62 0.27 -0.44 -0.00 0.00 0.00 177.93 178.51 1cpq h ASP 123 N 1.17 0.31 0.00 2.45 3.32 -1.12 -1.53 116.42 121.01 1cpq h ASP 123 Ca 0.42 -0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.13 1cpq h ASP 123 Cb 0.13 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.55 1cpq h ASP 123 CO -0.16 0.21 -2.26 0.47 -1.72 0.00 0.00 179.24 175.78 1cpq n ASP 124 N -4.48 0.96 -0.16 6.45 8.00 -0.99 -4.78 116.55 121.54 1cpq n ASP 124 Ca 0.05 -0.03 0.02 0.00 0.71 0.00 0.00 54.79 55.54 1cpq n ASP 124 Cb 0.21 0.62 0.02 0.00 -0.02 0.00 0.00 41.12 41.94 1cpq n ASP 124 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1cpq n TYR 125 N -2.80 0.00 -5.10 1.24 4.01 -0.21 -4.89 117.16 109.42 1cpq n TYR 125 Ca -0.32 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.10 1cpq n TYR 125 Cb 1.05 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.92 1cpq n TYR 125 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1cpq s ARG 126 N -0.39 2.78 0.32 -0.72 3.52 -0.58 -1.75 118.95 122.14 1cpq s ARG 126 Ca 0.05 -0.83 -0.29 0.00 -0.13 0.00 0.00 55.73 54.53 1cpq s ARG 126 Cb 0.03 -2.31 -0.11 0.00 -1.56 0.00 0.00 34.95 31.01 1cpq s ARG 126 CO 0.06 0.36 1.46 -1.21 -0.81 0.00 0.00 175.30 175.15 1cpq s GLU 127 N -0.08 4.20 -0.59 5.12 0.41 0.15 -4.79 118.70 123.12 1cpq s GLU 127 Ca -0.05 2.44 0.04 0.00 -0.41 0.00 0.00 54.97 56.98 1cpq s GLU 127 Cb -0.14 -3.03 0.37 0.00 -1.78 0.00 0.00 34.13 29.55 1cpq s GLU 127 CO 0.04 -0.45 1.22 -0.85 -0.49 0.00 0.00 175.26 174.73 1cpq n GLU 128 N 1.26 3.48 0.00 1.61 0.00 -1.26 -5.00 120.64 120.72 1cpq n GLU 128 Ca 0.03 -4.54 0.08 0.00 0.00 0.00 0.00 57.16 52.73 1cpq n GLU 128 Cb 0.40 -2.27 0.06 0.00 0.00 0.00 0.00 31.44 29.63 1cpq n GLU 128 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88