#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnx s LEU 2 N 0.00 4.62 0.18 -0.89 0.20 -1.26 -4.89 118.68 116.64 1pnx s LEU 2 Ca 0.00 -1.62 -0.13 0.00 0.69 0.00 0.00 54.13 53.07 1pnx s LEU 2 Cb 0.00 -2.43 0.10 0.00 -0.43 0.00 0.00 46.19 43.43 1pnx s LEU 2 CO 0.00 -1.25 1.82 0.00 -0.29 0.00 0.00 176.35 176.63 1pnx h THR 3 N 6.00 1.08 -2.85 3.68 1.03 -2.07 -3.40 112.91 116.39 1pnx h THR 3 Ca 0.02 -0.23 -0.57 0.00 -0.01 0.00 0.00 66.41 65.62 1pnx h THR 3 Cb 1.04 0.36 -0.40 0.00 -1.07 0.00 0.00 68.15 68.08 1pnx h THR 3 CO 1.17 0.12 -0.79 -0.62 -0.01 0.00 0.00 175.52 175.40 1pnx s ASP 4 N -5.62 3.50 0.23 0.00 -1.08 -1.26 -4.97 116.67 107.47 1pnx s ASP 4 Ca -0.13 -1.92 -0.06 0.00 -0.52 0.00 0.00 52.55 49.92 1pnx s ASP 4 Cb 0.13 -0.62 0.38 0.00 -1.46 0.00 0.00 42.92 41.35 1pnx s ASP 4 CO 0.74 -0.36 1.77 -0.65 0.52 0.00 0.00 175.17 177.20 1pnx h PRO 5 N 7.56 0.58 -0.32 4.34 0.11 -1.99 0.20 132.00 142.47 1pnx h PRO 5 Ca -0.06 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 1pnx h PRO 5 Cb 0.98 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1pnx h PRO 5 CO 0.40 0.38 0.11 0.82 -0.21 0.00 0.00 178.00 179.50 1pnx h ILE 6 N 0.59 1.20 -0.17 4.15 1.08 -1.99 -1.71 117.51 120.66 1pnx h ILE 6 Ca 0.38 -0.63 -0.10 0.00 -0.39 0.00 0.00 64.86 64.12 1pnx h ILE 6 Cb 0.44 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 1pnx h ILE 6 CO -0.30 0.21 -0.33 0.00 -0.69 0.00 0.00 178.15 177.05 1pnx h ALA 7 N 0.95 1.12 -0.81 1.87 0.00 -1.86 -2.14 119.26 118.39 1pnx h ALA 7 Ca 0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1pnx h ALA 7 Cb 0.22 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1pnx h ALA 7 CO -0.01 0.56 0.47 0.22 0.00 0.00 0.00 179.25 180.50 1pnx h ASP 8 N 0.30 0.98 -0.23 0.00 3.58 -0.15 -2.22 116.42 118.69 1pnx h ASP 8 Ca 0.04 -0.06 -0.12 0.00 0.42 0.00 0.00 57.03 57.30 1pnx h ASP 8 Cb 0.73 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.53 1pnx h ASP 8 CO 0.06 0.77 -0.33 -0.03 -2.88 0.00 0.00 179.24 176.82 1pnx h MET 9 N 1.12 0.63 -0.35 0.28 4.05 -0.84 -1.04 114.93 118.78 1pnx h MET 9 Ca 0.29 -0.37 -0.03 0.00 -0.28 0.00 0.00 59.70 59.31 1pnx h MET 9 Cb -0.02 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 1pnx h MET 9 CO -0.05 0.98 0.11 -0.07 0.23 0.00 0.00 176.91 178.11 1pnx h LEU 10 N 0.33 0.46 -0.05 3.39 3.38 -1.21 -1.75 115.31 119.87 1pnx h LEU 10 Ca 0.02 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1pnx h LEU 10 Cb 0.92 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1pnx h LEU 10 CO 0.08 0.45 -0.27 0.74 0.09 0.00 0.00 178.44 179.53 1pnx h THR 11 N 0.50 1.45 -0.73 0.22 2.02 -1.31 0.21 112.91 115.27 1pnx h THR 11 Ca 0.12 -1.71 0.15 0.00 0.77 0.00 0.00 66.41 65.74 1pnx h THR 11 Cb 0.16 2.40 -0.10 0.00 -1.74 0.00 0.00 68.15 68.87 1pnx h THR 11 CO -0.01 0.48 0.22 0.03 0.37 0.00 0.00 175.52 176.61 1pnx h ARG 12 N -0.26 0.32 -0.04 6.66 3.08 -0.86 0.97 114.38 124.24 1pnx h ARG 12 Ca -0.02 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1pnx h ARG 12 Cb 0.93 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 1pnx h ARG 12 CO 0.06 0.21 0.01 0.82 -1.07 0.00 0.00 179.97 179.99 1pnx h ILE 13 N 0.33 1.21 -0.52 2.04 2.04 -1.22 0.10 117.51 121.49 1pnx h ILE 13 Ca 0.41 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.66 1pnx h ILE 13 Cb 0.66 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1pnx h ILE 13 CO -0.46 0.17 0.32 -0.09 0.00 0.00 0.00 178.15 178.08 1pnx h ARG 14 N -0.18 0.62 -0.09 2.37 2.43 0.78 -1.19 114.38 119.11 1pnx h ARG 14 Ca 0.01 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1pnx h ARG 14 Cb 0.26 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1pnx h ARG 14 CO 0.00 0.41 0.04 -0.91 -1.51 0.00 0.00 179.97 178.00 1pnx h ASN 15 N 0.64 0.12 -0.31 -3.80 2.35 0.11 -2.56 115.58 112.13 1pnx h ASN 15 Ca 0.20 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1pnx h ASN 15 Cb -0.00 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1pnx h ASN 15 CO -0.08 0.21 0.14 0.00 -1.65 0.00 0.00 177.43 176.05 1pnx h ALA 16 N 0.91 0.40 -0.86 -0.83 0.00 -0.63 -2.86 119.26 115.39 1pnx h ALA 16 Ca 0.03 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1pnx h ALA 16 Cb 0.12 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1pnx h ALA 16 CO -0.00 -0.02 0.57 1.79 0.00 0.00 0.00 179.25 181.58 1pnx h THR 17 N 0.35 1.18 0.00 0.00 1.35 -1.22 -0.96 112.91 113.62 1pnx h THR 17 Ca 0.10 -0.38 -0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1pnx h THR 17 Cb 0.15 -0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 66.54 1pnx h THR 17 CO -0.01 0.20 -0.00 0.03 -0.25 0.00 0.00 175.52 175.49 1pnx h ARG 18 N 1.12 0.00 -0.24 4.72 -0.00 -1.22 0.20 114.38 118.96 1pnx h ARG 18 Ca 0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.81 1pnx h ARG 18 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.91 1pnx h ARG 18 CO -0.08 0.00 0.00 1.33 0.00 0.00 0.00 179.97 181.22 1pnx n VAL 19 N -3.09 0.74 -3.25 2.04 0.24 -0.62 -5.00 118.33 109.38 1pnx n VAL 19 Ca -0.03 -0.87 -0.18 0.00 -2.04 0.00 0.00 64.34 61.23 1pnx n VAL 19 Cb 0.09 0.69 0.05 0.00 -1.47 0.00 0.00 33.84 33.21 1pnx n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1pnx n TYR 20 N 0.48 -2.07 -1.97 6.34 4.01 0.69 -4.99 117.16 119.64 1pnx n TYR 20 Ca 0.09 0.71 -0.36 0.00 -0.16 0.00 0.00 57.90 58.18 1pnx n TYR 20 Cb 0.37 -3.99 0.04 0.00 -0.31 0.00 0.00 39.34 35.45 1pnx n TYR 20 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1pnx s LYS 21 N -5.90 2.91 -0.08 -0.72 -0.14 -0.71 -4.96 119.74 110.14 1pnx s LYS 21 Ca 0.41 1.87 -0.06 0.00 -1.36 0.00 0.00 55.97 56.83 1pnx s LYS 21 Cb -0.18 -1.92 -0.04 0.00 -1.68 0.00 0.00 37.83 34.02 1pnx s LYS 21 CO 0.51 -1.27 0.24 1.49 -0.76 0.00 0.00 175.35 175.56 1pnx h GLU 22 N 0.84 -0.16 0.00 1.68 4.81 -1.91 -3.42 114.58 116.41 1pnx h GLU 22 Ca -0.51 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1pnx h GLU 22 Cb 1.30 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1pnx h GLU 22 CO 0.55 -0.06 0.00 0.45 -0.73 0.00 0.00 179.01 179.21 1pnx n SER 23 N -4.89 0.00 0.00 1.04 2.88 -1.26 -0.84 113.62 110.55 1pnx n SER 23 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1pnx n SER 23 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1pnx n SER 23 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1pnx n THR 24 N 0.00 0.00 -3.74 2.46 5.66 -1.15 -4.66 114.28 112.85 1pnx n THR 24 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 1pnx n THR 24 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 1pnx n THR 24 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1pnx s ASP 25 N 0.00 6.48 -0.10 1.09 1.11 -1.26 -0.12 116.67 123.87 1pnx s ASP 25 Ca 0.00 0.54 -0.05 0.00 0.18 0.00 0.00 52.55 53.22 1pnx s ASP 25 Cb 0.00 -2.07 0.04 0.00 1.07 0.00 0.00 42.92 41.96 1pnx s ASP 25 CO 0.00 0.16 0.23 0.68 1.18 0.00 0.00 175.17 177.42 1pnx s VAL 26 N -1.47 -0.04 0.12 -1.27 -7.23 -1.07 -4.96 120.40 104.49 1pnx s VAL 26 Ca 0.34 0.14 -0.35 0.00 -1.81 0.00 0.00 61.98 60.29 1pnx s VAL 26 Cb -0.13 -0.35 -0.16 0.00 0.56 0.00 0.00 36.38 36.30 1pnx s VAL 26 CO 0.21 0.06 1.31 -2.65 -0.31 0.00 0.00 175.10 173.71 1pnx n PRO 27 N 4.10 1.23 -2.53 4.82 -0.02 -1.26 -0.45 135.00 140.89 1pnx n PRO 27 Ca -0.24 0.44 -0.39 0.00 -2.02 0.00 0.00 63.50 61.29 1pnx n PRO 27 Cb 0.53 -2.05 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 1pnx n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pnx s ALA 28 N 0.31 3.31 -0.16 3.55 0.00 -0.92 -4.73 121.76 123.10 1pnx s ALA 28 Ca 0.81 0.80 -0.14 0.00 0.00 0.00 0.00 51.96 53.43 1pnx s ALA 28 Cb -0.90 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 18.97 1pnx s ALA 28 CO 0.48 -0.12 0.43 -1.54 0.00 0.00 0.00 175.76 175.00 1pnx s SER 29 N -1.12 -0.46 0.16 0.00 1.04 -1.26 -4.91 113.70 107.15 1pnx s SER 29 Ca 0.48 0.87 -0.28 0.00 0.48 0.00 0.00 55.95 57.51 1pnx s SER 29 Cb -0.28 0.86 -0.00 0.00 0.10 0.00 0.00 66.02 66.70 1pnx s SER 29 CO 0.36 -0.16 1.56 0.03 0.98 0.00 0.00 173.24 176.01 1pnx h ARG 30 N 5.74 -0.19 -0.61 4.02 2.47 -1.99 -0.86 114.38 122.96 1pnx h ARG 30 Ca -0.29 0.01 0.12 0.00 -1.26 0.00 0.00 59.98 58.57 1pnx h ARG 30 Cb 1.18 0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 29.45 1pnx h ARG 30 CO 0.24 -0.12 0.10 0.35 0.56 0.00 0.00 179.97 181.10 1pnx h PHE 31 N -0.19 0.15 -0.53 3.04 3.57 -1.99 -0.20 116.94 120.79 1pnx h PHE 31 Ca 0.17 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1pnx h PHE 31 Cb 0.54 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 1pnx h PHE 31 CO -0.80 -0.07 0.20 0.87 -2.23 0.00 0.00 178.31 176.28 1pnx h LYS 32 N 0.22 0.76 -0.48 1.11 1.57 -1.61 -1.32 116.57 116.82 1pnx h LYS 32 Ca 0.32 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.88 1pnx h LYS 32 Cb 0.50 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1pnx h LYS 32 CO -0.44 0.63 -0.14 1.49 -0.57 0.00 0.00 179.45 180.43 1pnx h GLU 33 N 0.75 0.92 -0.88 3.15 4.81 0.03 -1.55 114.58 121.81 1pnx h GLU 33 Ca 0.18 -0.34 0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1pnx h GLU 33 Cb 0.16 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.43 1pnx h GLU 33 CO -0.02 0.99 0.56 0.93 -0.73 0.00 0.00 179.01 180.75 1pnx h GLU 34 N 0.81 1.04 -0.04 1.92 4.39 0.01 -1.55 114.58 121.17 1pnx h GLU 34 Ca 0.12 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1pnx h GLU 34 Cb 0.68 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1pnx h GLU 34 CO 0.05 0.69 -0.01 0.82 -1.16 0.00 0.00 179.01 179.40 1pnx h ILE 35 N 1.07 1.30 -0.87 3.13 2.04 -0.98 -2.95 117.51 120.26 1pnx h ILE 35 Ca 0.36 -0.92 0.18 0.00 1.00 0.00 0.00 64.86 65.48 1pnx h ILE 35 Cb 0.06 1.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 1pnx h ILE 35 CO -0.14 0.25 0.57 -0.07 0.00 0.00 0.00 178.15 178.76 1pnx h LEU 36 N -0.29 0.48 -0.59 1.44 3.38 -0.98 0.63 115.31 119.37 1pnx h LEU 36 Ca 0.01 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.12 1pnx h LEU 36 Cb 0.40 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 1pnx h LEU 36 CO 0.00 0.22 0.15 0.03 0.09 0.00 0.00 178.44 178.93 1pnx h ARG 37 N 0.49 0.28 -0.18 1.13 3.08 -1.10 -0.29 114.38 117.78 1pnx h ARG 37 Ca 0.44 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.42 1pnx h ARG 37 Cb 0.97 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 1pnx h ARG 37 CO -0.18 0.19 -0.09 0.82 -1.07 0.00 0.00 179.97 179.64 1pnx h ILE 38 N 0.29 1.31 -0.93 2.04 5.03 -0.95 -1.90 117.51 122.40 1pnx h ILE 38 Ca 0.31 -1.15 0.20 0.00 -0.12 0.00 0.00 64.86 64.09 1pnx h ILE 38 Cb 0.43 1.68 -0.11 0.00 -3.03 0.00 0.00 36.82 35.79 1pnx h ILE 38 CO -0.37 0.35 0.49 -0.07 -0.68 0.00 0.00 178.15 177.87 1pnx h LEU 39 N 0.07 0.54 0.43 1.44 -0.00 -0.48 0.52 115.31 117.83 1pnx h LEU 39 Ca 0.04 0.13 -0.02 0.00 -0.00 0.00 0.00 57.88 58.02 1pnx h LEU 39 Cb 0.58 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 1pnx h LEU 39 CO 0.03 0.12 -0.21 0.00 -0.00 0.00 0.00 178.44 178.38 1pnx h ALA 40 N 1.67 -0.58 -0.72 1.53 0.00 -0.98 0.32 119.26 120.50 1pnx h ALA 40 Ca 0.56 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.49 1pnx h ALA 40 Cb 0.98 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 1pnx h ALA 40 CO -0.45 -0.55 0.02 -0.09 0.00 0.00 0.00 179.25 178.18 1pnx h ARG 41 N -1.13 0.11 0.00 0.00 2.43 -0.63 1.73 114.38 116.89 1pnx h ARG 41 Ca -0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1pnx h ARG 41 Cb 0.47 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1pnx h ARG 41 CO 0.10 0.08 0.00 0.39 -1.51 0.00 0.00 179.97 179.02 1pnx n GLU 42 N -5.32 0.62 -1.76 0.20 -0.58 0.18 -4.85 120.64 109.13 1pnx n GLU 42 Ca 0.13 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.78 1pnx n GLU 42 Cb 0.45 -1.33 -0.02 0.00 -0.57 0.00 0.00 31.44 29.97 1pnx n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pnx n GLY 43 N 0.20 0.46 0.13 0.62 0.00 0.59 -4.93 105.19 102.26 1pnx n GLY 43 Ca 0.10 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.64 1pnx n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1pnx h PHE 44 N 0.00 0.00 -3.66 1.61 0.04 -0.49 -3.46 116.94 110.97 1pnx h PHE 44 Ca -0.19 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.35 1pnx h PHE 44 Cb 0.89 0.00 -0.28 0.00 2.20 0.00 0.00 35.95 38.76 1pnx h PHE 44 CO 0.23 0.04 -0.69 0.96 -0.60 0.00 0.00 178.31 178.26 1pnx s ILE 45 N -3.31 -0.00 0.49 -0.55 -4.36 -1.13 -4.45 121.20 107.88 1pnx s ILE 45 Ca 0.01 0.00 0.33 0.00 -0.26 0.00 0.00 60.65 60.73 1pnx s ILE 45 Cb 0.09 -0.05 0.53 0.00 1.25 0.00 0.00 42.46 44.28 1pnx s ILE 45 CO 0.77 0.00 1.72 0.11 0.24 0.00 0.00 174.94 177.78 1pnx h LYS 46 N 6.13 0.11 0.00 0.37 1.57 -1.07 -3.39 116.57 120.29 1pnx h LYS 46 Ca -0.25 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1pnx h LYS 46 Cb 1.21 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1pnx h LYS 46 CO 0.49 0.07 0.00 0.41 -0.57 0.00 0.00 179.45 179.86 1pnx n GLY 47 N -1.66 0.23 3.52 3.86 0.00 -1.21 -5.00 105.19 104.93 1pnx n GLY 47 Ca 0.31 -1.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 1pnx n GLY 47 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pnx s TYR 48 N -2.03 0.30 -0.16 1.61 -0.85 -1.26 -0.20 117.35 114.77 1pnx s TYR 48 Ca 0.00 -0.66 -0.24 0.00 -0.52 0.00 0.00 57.07 55.66 1pnx s TYR 48 Cb 0.00 0.17 0.06 0.00 0.38 0.00 0.00 41.96 42.56 1pnx s TYR 48 CO 0.00 -0.92 0.60 -1.83 -1.52 0.00 0.00 175.55 171.88 1pnx s GLU 49 N -3.99 0.82 0.56 -3.49 -1.05 -0.41 -4.94 118.70 106.20 1pnx s GLU 49 Ca 0.19 0.57 -0.21 0.00 -0.15 0.00 0.00 54.97 55.37 1pnx s GLU 49 Cb 0.00 0.39 -0.04 0.00 -0.44 0.00 0.00 34.13 34.04 1pnx s GLU 49 CO 0.05 -0.17 1.34 1.03 0.95 0.00 0.00 175.26 178.47 1pnx s ARG 50 N -0.30 3.06 0.14 -4.83 0.52 -1.26 -0.63 118.95 115.66 1pnx s ARG 50 Ca -0.05 2.20 -0.21 0.00 -0.52 0.00 0.00 55.73 57.15 1pnx s ARG 50 Cb -0.03 -2.20 0.06 0.00 0.52 0.00 0.00 34.95 33.30 1pnx s ARG 50 CO 0.04 -1.24 0.54 0.08 0.02 0.00 0.00 175.30 174.74 1pnx s VAL 51 N -1.32 0.02 -0.23 3.52 1.01 -0.24 -4.81 120.40 118.34 1pnx s VAL 51 Ca 0.73 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.53 1pnx s VAL 51 Cb -0.40 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 34.96 1pnx s VAL 51 CO 0.46 -0.10 -0.10 -1.81 0.00 0.00 0.00 175.10 173.55 1pnx s ASP 52 N -2.73 4.04 -0.26 3.32 1.11 -1.26 -0.36 116.67 120.52 1pnx s ASP 52 Ca 0.01 -0.90 -0.06 0.00 0.18 0.00 0.00 52.55 51.79 1pnx s ASP 52 Cb -0.00 -1.60 -0.00 0.00 1.07 0.00 0.00 42.92 42.39 1pnx s ASP 52 CO -0.12 -0.10 0.04 -0.69 1.18 0.00 0.00 175.17 175.47 1pnx s VAL 53 N 1.28 3.82 -1.88 -1.27 1.01 0.54 -4.49 120.40 119.41 1pnx s VAL 53 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1pnx s VAL 53 Cb -0.16 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1pnx s VAL 53 CO -0.07 0.24 0.00 -0.67 0.00 0.00 0.00 175.10 174.61 1pnx n ASP 54 N 4.85 -5.42 0.00 3.32 2.03 -1.26 -1.16 116.55 118.90 1pnx n ASP 54 Ca -0.16 0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.59 1pnx n ASP 54 Cb 0.49 -4.48 0.00 0.00 -0.72 0.00 0.00 41.12 36.41 1pnx n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pnx n GLY 55 N -0.42 3.27 3.90 0.27 0.00 -1.26 -5.06 105.19 105.90 1pnx n GLY 55 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1pnx n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pnx s LYS 56 N -0.79 3.52 0.25 1.61 3.01 -0.31 -5.01 119.74 122.02 1pnx s LYS 56 Ca 0.00 -0.26 -0.30 0.00 -1.01 0.00 0.00 55.97 54.40 1pnx s LYS 56 Cb 0.00 -3.00 -0.11 0.00 -1.01 0.00 0.00 37.83 33.71 1pnx s LYS 56 CO 0.00 0.59 1.53 -1.25 0.51 0.00 0.00 175.35 176.72 1pnx s PRO 57 N -2.34 4.20 0.18 -1.68 0.04 -1.26 -0.34 135.00 133.80 1pnx s PRO 57 Ca 0.34 2.42 -0.04 0.00 0.04 0.00 0.00 61.00 63.77 1pnx s PRO 57 Cb -0.13 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 1pnx s PRO 57 CO 0.24 -0.54 0.19 0.71 0.04 0.00 0.00 177.00 177.64 1pnx s TYR 58 N 0.20 0.82 -0.21 0.56 1.51 0.51 -2.17 117.35 118.57 1pnx s TYR 58 Ca 0.63 -1.13 0.01 0.00 -1.01 0.00 0.00 57.07 55.57 1pnx s TYR 58 Cb -0.45 -0.34 0.05 0.00 -0.11 0.00 0.00 41.96 41.11 1pnx s TYR 58 CO 0.43 -0.67 -0.10 -0.51 -1.11 0.00 0.00 175.55 173.58 1pnx s LEU 59 N -3.07 2.45 0.10 -1.29 1.43 0.40 -1.07 118.68 117.62 1pnx s LEU 59 Ca 0.29 -0.98 -0.31 0.00 -1.03 0.00 0.00 54.13 52.10 1pnx s LEU 59 Cb 0.05 -1.27 -0.07 0.00 0.03 0.00 0.00 46.19 44.93 1pnx s LEU 59 CO 0.07 -0.16 1.23 -0.13 0.23 0.00 0.00 176.35 177.59 1pnx s ARG 60 N 1.36 4.42 -0.27 1.70 1.81 0.20 -2.58 118.95 125.59 1pnx s ARG 60 Ca -0.03 1.85 -0.03 0.00 -1.72 0.00 0.00 55.73 55.80 1pnx s ARG 60 Cb -0.17 -3.31 0.03 0.00 -0.45 0.00 0.00 34.95 31.05 1pnx s ARG 60 CO -0.08 -0.25 -0.02 0.08 -0.68 0.00 0.00 175.30 174.35 1pnx s VAL 61 N 0.85 3.15 -0.53 3.52 1.01 0.83 -1.29 120.40 127.93 1pnx s VAL 61 Ca 0.59 -1.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 1pnx s VAL 61 Cb -0.31 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.45 1pnx s VAL 61 CO 0.31 0.10 1.01 -0.31 0.00 0.00 0.00 175.10 176.21 1pnx s TYR 62 N 1.35 2.78 0.62 5.22 2.02 0.72 -2.92 117.35 127.15 1pnx s TYR 62 Ca -0.00 0.22 -0.16 0.00 -0.37 0.00 0.00 57.07 56.76 1pnx s TYR 62 Cb -0.17 -4.18 -0.02 0.00 -0.40 0.00 0.00 41.96 37.19 1pnx s TYR 62 CO -0.02 -1.35 1.09 -0.51 -1.57 0.00 0.00 175.55 173.19 1pnx s LEU 63 N 4.18 3.46 -0.01 -1.29 1.02 -0.02 -0.58 118.68 125.44 1pnx s LEU 63 Ca 0.36 1.93 0.03 0.00 0.02 0.00 0.00 54.13 56.46 1pnx s LEU 63 Cb -0.10 -4.54 -0.01 0.00 0.02 0.00 0.00 46.19 41.56 1pnx s LEU 63 CO 0.23 -1.39 -0.09 -0.75 0.02 0.00 0.00 176.35 174.37 1pnx s LYS 64 N -4.03 0.73 0.21 1.70 2.20 -1.26 -4.49 119.74 114.79 1pnx s LYS 64 Ca 0.66 -0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1pnx s LYS 64 Cb -0.19 -0.71 -0.04 0.00 -1.51 0.00 0.00 37.83 35.38 1pnx s LYS 64 CO 0.38 0.18 0.09 0.71 -0.36 0.00 0.00 175.35 176.36 1pnx s TYR 65 N -0.17 1.27 0.00 4.03 1.51 -1.26 -3.93 117.35 118.80 1pnx s TYR 65 Ca 0.03 -1.24 0.00 0.00 -1.01 0.00 0.00 57.07 54.85 1pnx s TYR 65 Cb -0.04 -0.70 0.00 0.00 -0.11 0.00 0.00 41.96 41.12 1pnx s TYR 65 CO -0.00 -0.46 0.00 0.41 -1.11 0.00 0.00 175.55 174.39 1pnx n GLY 66 N -0.32 -1.51 3.94 0.71 0.00 0.37 -4.89 105.19 103.50 1pnx n GLY 66 Ca -0.01 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.16 1pnx n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pnx s PRO 67 N -2.73 2.06 0.75 1.61 0.04 -1.26 -4.66 135.00 130.82 1pnx s PRO 67 Ca 0.00 -0.43 -0.14 0.00 0.04 0.00 0.00 61.00 60.46 1pnx s PRO 67 Cb 0.00 -2.20 0.05 0.00 0.04 0.00 0.00 34.50 32.39 1pnx s PRO 67 CO 0.00 -1.29 1.21 0.50 0.04 0.00 0.00 177.00 177.46 1pnx s ARG 68 N -5.22 1.98 0.50 4.56 3.52 -1.26 -4.11 118.95 118.92 1pnx s ARG 68 Ca 0.62 1.77 0.04 0.00 -0.13 0.00 0.00 55.73 58.03 1pnx s ARG 68 Cb -0.10 -1.81 -0.00 0.00 -1.56 0.00 0.00 34.95 31.48 1pnx s ARG 68 CO 0.44 -1.96 0.18 1.03 -0.81 0.00 0.00 175.30 174.18 1pnx s ARG 69 N -3.97 2.21 0.51 5.12 0.52 -0.56 -4.93 118.95 117.86 1pnx s ARG 69 Ca 0.74 -2.16 0.05 0.00 -0.52 0.00 0.00 55.73 53.84 1pnx s ARG 69 Cb -0.29 -1.81 0.04 0.00 0.52 0.00 0.00 34.95 33.40 1pnx s ARG 69 CO 0.47 -0.40 0.71 -0.65 0.02 0.00 0.00 175.30 175.45 1pnx s GLN 70 N -4.02 2.58 2.02 3.54 -1.52 -1.26 -4.56 119.66 116.43 1pnx s GLN 70 Ca 0.23 -1.07 0.00 0.00 -1.95 0.00 0.00 55.36 52.57 1pnx s GLN 70 Cb 0.01 -2.60 0.00 0.00 -0.22 0.00 0.00 33.01 30.20 1pnx s GLN 70 CO 0.13 -0.60 0.00 0.41 -0.25 0.00 0.00 175.29 174.98 1pnx n GLY 71 N -2.17 -0.83 3.73 3.09 0.00 -1.26 -4.68 105.19 103.08 1pnx n GLY 71 Ca 0.09 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 1pnx n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pnx s PRO 72 N 0.00 2.38 -0.46 1.61 0.04 -1.26 -4.18 135.00 133.13 1pnx s PRO 72 Ca 0.00 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 62.61 1pnx s PRO 72 Cb 0.00 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.70 1pnx s PRO 72 CO 0.00 -1.64 0.62 -3.47 0.04 0.00 0.00 177.00 172.54 1pnx n ASP 73 N -2.45 -7.69 0.00 6.66 4.64 -1.26 -4.86 116.55 111.58 1pnx n ASP 73 Ca 0.13 0.40 0.05 0.00 -1.38 0.00 0.00 54.79 53.99 1pnx n ASP 73 Cb 0.50 -5.01 0.27 0.00 -1.04 0.00 0.00 41.12 35.84 1pnx n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1pnx n PRO 74 N -0.44 0.79 -1.69 -0.67 -0.04 -1.26 -4.81 135.00 126.87 1pnx n PRO 74 Ca 0.09 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.10 1pnx n PRO 74 Cb 0.49 -1.18 -0.04 0.00 -0.04 0.00 0.00 33.50 32.73 1pnx n PRO 74 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pnx n ARG 75 N -0.68 2.49 -1.66 0.54 1.74 -1.26 -1.49 116.66 116.34 1pnx n ARG 75 Ca 0.07 0.90 -0.39 0.00 -0.77 0.00 0.00 57.85 57.66 1pnx n ARG 75 Cb 0.03 -2.73 0.03 0.00 -1.02 0.00 0.00 32.46 28.77 1pnx n ARG 75 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1pnx n PRO 76 N 4.43 1.34 -2.32 5.56 -0.02 -1.26 -4.60 135.00 138.14 1pnx n PRO 76 Ca 0.18 0.49 -0.38 0.00 -2.02 0.00 0.00 63.50 61.77 1pnx n PRO 76 Cb 0.33 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 1pnx n PRO 76 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1pnx s GLU 77 N -2.52 4.13 0.58 -0.52 2.12 -1.26 -4.76 118.70 116.47 1pnx s GLU 77 Ca 0.69 1.83 -0.15 0.00 0.36 0.00 0.00 54.97 57.70 1pnx s GLU 77 Cb -0.46 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 1pnx s GLU 77 CO 0.52 -0.25 1.04 -0.65 -0.54 0.00 0.00 175.26 175.37 1pnx s GLN 78 N -2.22 3.47 -0.07 4.30 -1.52 -1.26 -0.48 119.66 121.89 1pnx s GLN 78 Ca 0.56 1.10 0.09 0.00 -1.95 0.00 0.00 55.36 55.15 1pnx s GLN 78 Cb -0.30 -2.06 -0.24 0.00 -0.22 0.00 0.00 33.01 30.19 1pnx s GLN 78 CO 0.39 -0.68 0.57 0.28 -0.25 0.00 0.00 175.29 175.60 1pnx n VAL 79 N -2.02 1.64 -3.41 1.09 0.31 -1.25 -4.41 118.33 110.27 1pnx n VAL 79 Ca 0.08 -0.77 -0.43 0.00 -0.01 0.00 0.00 64.34 63.21 1pnx n VAL 79 Cb 0.53 -1.17 -0.02 0.00 -0.91 0.00 0.00 33.84 32.27 1pnx n VAL 79 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1pnx s ILE 80 N -2.59 5.46 0.16 2.52 1.01 -1.26 -4.85 121.20 121.66 1pnx s ILE 80 Ca -0.09 -3.20 0.26 0.00 0.00 0.00 0.00 60.65 57.62 1pnx s ILE 80 Cb 0.08 -4.33 0.26 0.00 0.01 0.00 0.00 42.46 38.47 1pnx s ILE 80 CO 0.81 -1.10 1.88 0.45 0.00 0.00 0.00 174.94 176.97 1pnx h HIS 81 N 6.89 0.00 -3.99 3.97 3.86 -1.30 -3.46 115.15 121.13 1pnx h HIS 81 Ca 0.14 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.23 1pnx h HIS 81 Cb 0.92 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.26 1pnx h HIS 81 CO 0.83 0.18 -0.35 -1.58 0.86 0.00 0.00 177.93 177.87 1pnx s HIS 82 N -3.72 0.55 0.00 2.45 5.65 -0.56 -4.99 115.29 114.67 1pnx s HIS 82 Ca 0.00 -0.89 0.00 0.00 0.25 0.00 0.00 55.06 54.42 1pnx s HIS 82 Cb 0.10 -0.11 0.00 0.00 -1.18 0.00 0.00 32.58 31.39 1pnx s HIS 82 CO 0.62 -0.75 0.00 1.51 -0.65 0.00 0.00 174.74 175.46 1pnx n ILE 83 N -0.25 0.00 -5.08 0.89 3.06 -1.25 -3.33 119.36 113.40 1pnx n ILE 83 Ca -0.04 0.00 -0.32 0.00 -2.50 0.00 0.00 62.75 59.89 1pnx n ILE 83 Cb 0.63 0.00 -0.16 0.00 0.54 0.00 0.00 39.64 40.66 1pnx n ILE 83 CO 0.00 0.00 0.00 -0.60 -2.50 0.00 0.00 176.55 173.45 1pnx s ARG 84 N 0.00 2.93 0.45 9.51 3.00 -0.57 -4.90 118.95 129.36 1pnx s ARG 84 Ca 0.00 -0.82 -0.23 0.00 -1.00 0.00 0.00 55.73 53.68 1pnx s ARG 84 Cb 0.00 -2.35 -0.08 0.00 0.00 0.00 0.00 34.95 32.52 1pnx s ARG 84 CO 0.00 0.30 1.16 0.50 0.00 0.00 0.00 175.30 177.26 1pnx s ARG 85 N 0.08 3.82 0.00 5.12 3.00 -1.26 -2.27 118.95 127.44 1pnx s ARG 85 Ca -0.09 1.78 0.00 0.00 -1.00 0.00 0.00 55.73 56.42 1pnx s ARG 85 Cb -0.15 -2.46 0.00 0.00 0.00 0.00 0.00 34.95 32.34 1pnx s ARG 85 CO 0.06 -0.50 0.00 -0.89 0.00 0.00 0.00 175.30 173.97 1pnx n ILE 86 N -0.38 0.00 -2.06 4.11 5.41 -1.08 -4.94 119.36 120.42 1pnx n ILE 86 Ca 0.07 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.41 1pnx n ILE 86 Cb 0.48 -0.84 -0.02 0.00 -0.71 0.00 0.00 39.64 38.54 1pnx n ILE 86 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1pnx s SER 87 N -4.09 6.71 0.04 4.38 0.15 -0.97 -4.81 113.70 115.11 1pnx s SER 87 Ca 0.00 2.70 -0.11 0.00 0.70 0.00 0.00 55.95 59.24 1pnx s SER 87 Cb 0.00 -2.64 0.01 0.00 -1.71 0.00 0.00 66.02 61.68 1pnx s SER 87 CO 0.00 -0.61 0.25 -0.54 1.20 0.00 0.00 173.24 173.53 1pnx s LYS 88 N -1.33 0.74 0.47 5.44 1.02 -0.98 -4.89 119.74 120.21 1pnx s LYS 88 Ca 0.53 -0.56 -0.23 0.00 0.02 0.00 0.00 55.97 55.73 1pnx s LYS 88 Cb -0.41 0.31 -0.09 0.00 -0.52 0.00 0.00 37.83 37.13 1pnx s LYS 88 CO 0.50 -0.23 1.03 -0.35 -0.92 0.00 0.00 175.35 175.39 1pnx n PRO 89 N 0.67 1.33 -3.49 -1.68 -0.04 -1.26 -2.15 135.00 128.37 1pnx n PRO 89 Ca -0.19 0.48 -0.21 0.00 -0.04 0.00 0.00 63.50 63.54 1pnx n PRO 89 Cb 0.59 -2.12 0.06 0.00 -0.04 0.00 0.00 33.50 31.98 1pnx n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pnx n GLY 90 N 1.16 -0.83 0.00 0.55 0.00 -1.26 -4.73 105.19 100.07 1pnx n GLY 90 Ca 0.10 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1pnx n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pnx n ARG 91 N -3.83 0.00 -2.10 1.61 0.00 -0.91 -5.15 116.66 106.28 1pnx n ARG 91 Ca -0.15 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.32 1pnx n ARG 91 Cb 0.63 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.10 1pnx n ARG 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1pnx s ARG 92 N 0.00 3.57 -0.17 -0.14 3.00 -0.94 -2.32 118.95 121.95 1pnx s ARG 92 Ca 0.00 1.93 -0.01 0.00 0.00 0.00 0.00 55.73 57.65 1pnx s ARG 92 Cb 0.00 -2.37 0.05 0.00 0.00 0.00 0.00 34.95 32.63 1pnx s ARG 92 CO 0.00 -0.75 -0.01 0.08 0.00 0.00 0.00 175.30 174.62 1pnx s VAL 93 N -1.46 0.82 0.09 3.52 1.01 -1.26 -4.88 120.40 118.24 1pnx s VAL 93 Ca 0.66 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 62.18 1pnx s VAL 93 Cb -0.33 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1pnx s VAL 93 CO 0.39 0.00 -0.19 -0.31 0.00 0.00 0.00 175.10 174.99 1pnx s TYR 94 N 1.75 2.52 0.03 5.22 1.51 -1.26 0.31 117.35 127.43 1pnx s TYR 94 Ca 0.00 -0.28 0.03 0.00 -1.01 0.00 0.00 57.07 55.82 1pnx s TYR 94 Cb -0.16 -1.38 -0.02 0.00 -0.11 0.00 0.00 41.96 40.29 1pnx s TYR 94 CO -0.07 0.32 -0.10 0.14 -1.11 0.00 0.00 175.55 174.73 1pnx s VAL 95 N -1.04 0.73 0.77 0.71 -7.23 -1.12 -4.93 120.40 108.28 1pnx s VAL 95 Ca 0.16 -0.89 -0.12 0.00 -1.81 0.00 0.00 61.98 59.33 1pnx s VAL 95 Cb -0.10 -0.71 0.05 0.00 0.56 0.00 0.00 36.38 36.18 1pnx s VAL 95 CO 0.08 -0.15 1.11 -0.83 -0.31 0.00 0.00 175.10 175.00 1pnx s GLY 96 N -1.15 1.62 0.50 2.32 0.00 -1.26 -0.97 107.32 108.38 1pnx s GLY 96 Ca -0.03 -0.36 0.33 0.00 0.00 0.00 0.00 44.72 44.66 1pnx s GLY 96 CO 0.01 0.06 2.01 -0.24 0.00 0.00 0.00 173.10 174.94 1pnx h VAL 97 N -0.93 0.00 0.00 1.40 3.04 -1.92 0.28 116.25 118.12 1pnx h VAL 97 Ca -0.46 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 1pnx h VAL 97 Cb 1.28 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 1pnx h VAL 97 CO 0.62 0.00 -0.48 0.29 -1.01 0.00 0.00 177.57 176.99 1pnx n LYS 98 N -2.77 0.10 -0.08 4.17 5.02 -1.26 -3.96 118.16 119.38 1pnx n LYS 98 Ca -0.01 0.03 0.08 0.00 -2.02 0.00 0.00 58.31 56.39 1pnx n LYS 98 Cb 0.15 -1.56 0.11 0.00 -0.02 0.00 0.00 35.03 33.70 1pnx n LYS 98 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1pnx n GLU 99 N -1.71 1.67 -1.84 1.97 1.02 0.07 -4.96 120.64 116.86 1pnx n GLU 99 Ca 0.05 -1.68 -0.43 0.00 -0.02 0.00 0.00 57.16 55.08 1pnx n GLU 99 Cb 0.37 -1.31 -0.03 0.00 -0.02 0.00 0.00 31.44 30.45 1pnx n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1pnx s ILE 100 N -1.17 3.29 0.92 -3.67 1.01 -1.08 -4.83 121.20 115.68 1pnx s ILE 100 Ca 0.22 0.31 -0.13 0.00 0.00 0.00 0.00 60.65 61.05 1pnx s ILE 100 Cb 0.14 -3.35 0.04 0.00 0.01 0.00 0.00 42.46 39.29 1pnx s ILE 100 CO 0.20 -0.20 0.47 -0.81 0.00 0.00 0.00 174.94 174.60 1pnx n PRO 101 N 8.36 -0.23 -3.73 2.79 -0.04 -1.26 -4.97 135.00 135.91 1pnx n PRO 101 Ca 0.25 -0.02 -0.36 0.00 -0.04 0.00 0.00 63.50 63.32 1pnx n PRO 101 Cb 0.45 -1.89 -0.10 0.00 -0.04 0.00 0.00 33.50 31.92 1pnx n PRO 101 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1pnx s ARG 102 N -3.61 2.50 0.22 0.54 0.52 -1.26 -4.96 118.95 112.90 1pnx s ARG 102 Ca 0.59 -2.49 -0.31 0.00 -0.52 0.00 0.00 55.73 53.00 1pnx s ARG 102 Cb -0.23 -3.70 -0.10 0.00 0.52 0.00 0.00 34.95 31.44 1pnx s ARG 102 CO 0.66 -1.16 1.50 0.08 0.02 0.00 0.00 175.30 176.39 1pnx s VAL 103 N 0.00 2.60 -1.44 3.52 1.01 -1.26 -3.68 120.40 121.15 1pnx s VAL 103 Ca 0.16 0.47 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 1pnx s VAL 103 Cb -0.21 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.89 1pnx s VAL 103 CO -0.03 0.06 0.22 0.54 0.00 0.00 0.00 175.10 175.89 1pnx n ARG 104 N 2.96 -0.80 -3.35 2.72 5.12 -1.26 0.34 116.66 122.39 1pnx n ARG 104 Ca 0.10 0.09 -0.22 0.00 -1.93 0.00 0.00 57.85 55.89 1pnx n ARG 104 Cb 0.39 -3.28 -0.01 0.00 -1.16 0.00 0.00 32.46 28.40 1pnx n ARG 104 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1pnx n ARG 105 N -4.73 -2.93 0.00 5.56 3.00 -1.24 -0.30 116.66 116.01 1pnx n ARG 105 Ca -0.26 0.38 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1pnx n ARG 105 Cb 0.66 -5.03 0.00 0.00 0.00 0.00 0.00 32.46 28.08 1pnx n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1pnx n GLY 106 N -1.05 3.31 0.00 5.14 0.00 0.15 -4.88 105.19 107.86 1pnx n GLY 106 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1pnx n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pnx n LEU 107 N 0.00 0.00 -4.58 0.99 4.77 0.59 -4.80 117.00 113.96 1pnx n LEU 107 Ca 0.00 0.47 -0.26 0.00 -0.03 0.00 0.00 56.01 56.18 1pnx n LEU 107 Cb 0.00 -0.47 -0.11 0.00 -2.33 0.00 0.00 43.42 40.52 1pnx n LEU 107 CO 0.00 -0.06 -0.28 -0.83 -1.33 0.00 0.00 177.39 174.89 1pnx s GLY 108 N -2.94 2.42 0.30 -0.72 0.00 -1.09 -4.91 107.32 100.38 1pnx s GLY 108 Ca 0.14 -2.15 0.00 0.00 0.00 0.00 0.00 44.72 42.71 1pnx s GLY 108 CO 0.45 -2.02 0.01 0.29 0.00 0.00 0.00 173.10 171.82 1pnx n ILE 109 N -0.90 0.00 -3.68 0.90 -5.35 0.23 -4.47 119.36 106.09 1pnx n ILE 109 Ca -0.05 -1.39 -0.10 0.00 -0.27 0.00 0.00 62.75 60.95 1pnx n ILE 109 Cb 0.67 0.26 -0.11 0.00 -1.74 0.00 0.00 39.64 38.72 1pnx n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1pnx s ALA 110 N -2.50 -1.03 -0.28 -1.28 0.00 -1.26 -1.78 121.76 113.63 1pnx s ALA 110 Ca 0.01 1.44 -0.15 0.00 0.00 0.00 0.00 51.96 53.26 1pnx s ALA 110 Cb -0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 1pnx s ALA 110 CO 0.00 -0.52 0.36 0.42 0.00 0.00 0.00 175.76 176.02 1pnx s ILE 111 N 2.05 5.18 0.32 0.00 1.01 -0.91 -0.87 121.20 127.98 1pnx s ILE 111 Ca -0.05 0.46 0.08 0.00 0.00 0.00 0.00 60.65 61.13 1pnx s ILE 111 Cb -0.10 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1pnx s ILE 111 CO -0.12 0.12 0.25 -0.76 0.00 0.00 0.00 174.94 174.42 1pnx s LEU 112 N 2.05 3.57 -0.26 2.97 1.43 0.04 -2.03 118.68 126.44 1pnx s LEU 112 Ca 0.14 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 1pnx s LEU 112 Cb -0.16 -2.15 0.07 0.00 0.03 0.00 0.00 46.19 43.98 1pnx s LEU 112 CO 0.10 -0.28 -0.06 -0.55 0.23 0.00 0.00 176.35 175.79 1pnx s SER 113 N -3.94 4.24 0.34 2.29 0.15 -0.34 -2.03 113.70 114.41 1pnx s SER 113 Ca 0.39 -1.42 0.08 0.00 0.70 0.00 0.00 55.95 55.70 1pnx s SER 113 Cb -0.06 -1.39 -0.04 0.00 -1.71 0.00 0.00 66.02 62.82 1pnx s SER 113 CO 0.25 -0.24 0.15 0.42 1.20 0.00 0.00 173.24 175.02 1pnx s THR 114 N 1.21 3.07 -1.98 6.45 -4.23 -0.13 -2.86 115.64 117.17 1pnx s THR 114 Ca -0.05 -1.68 0.13 0.00 -1.18 0.00 0.00 61.69 58.91 1pnx s THR 114 Cb -0.19 -2.99 0.37 0.00 1.34 0.00 0.00 72.50 71.03 1pnx s THR 114 CO -0.07 -0.19 1.22 -1.54 -0.54 0.00 0.00 174.62 173.50 1pnx n SER 115 N -1.15 0.00 -0.91 3.99 3.41 -1.26 0.22 113.62 117.91 1pnx n SER 115 Ca -0.03 -0.39 0.07 0.00 -0.26 0.00 0.00 58.87 58.26 1pnx n SER 115 Cb 0.61 -0.01 0.22 0.00 -0.26 0.00 0.00 64.21 64.77 1pnx n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1pnx n LYS 116 N -1.01 3.01 0.00 4.33 5.02 -1.26 -5.09 118.16 123.16 1pnx n LYS 116 Ca 0.10 -2.41 0.00 0.00 -2.02 0.00 0.00 58.31 53.98 1pnx n LYS 116 Cb 0.05 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 1pnx n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pnx n GLY 117 N 0.51 -3.21 3.63 0.72 0.00 0.13 -4.93 105.19 102.05 1pnx n GLY 117 Ca 0.17 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 1pnx n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pnx s VAL 118 N -0.81 4.76 0.27 1.61 1.01 -1.26 -0.95 120.40 125.02 1pnx s VAL 118 Ca 0.00 1.42 0.02 0.00 0.00 0.00 0.00 61.98 63.42 1pnx s VAL 118 Cb 0.00 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1pnx s VAL 118 CO 0.00 -0.22 0.07 -0.76 0.00 0.00 0.00 175.10 174.19 1pnx s LEU 119 N 3.02 1.86 0.58 3.92 1.43 -0.86 -4.99 118.68 123.64 1pnx s LEU 119 Ca 0.35 -1.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.08 1pnx s LEU 119 Cb -0.14 -0.12 0.03 0.00 0.03 0.00 0.00 46.19 45.99 1pnx s LEU 119 CO 0.11 -0.67 0.84 0.42 0.23 0.00 0.00 176.35 177.28 1pnx s THR 120 N -3.60 3.08 0.25 5.49 -4.23 -1.26 -0.78 115.64 114.59 1pnx s THR 120 Ca 0.36 -0.38 -0.04 0.00 -1.18 0.00 0.00 61.69 60.45 1pnx s THR 120 Cb 0.08 -3.21 0.22 0.00 1.34 0.00 0.00 72.50 70.93 1pnx s THR 120 CO 0.13 -0.18 1.80 -2.24 -0.54 0.00 0.00 174.62 173.59 1pnx h ASP 121 N -0.08 0.63 -0.07 3.99 2.03 -1.38 0.58 116.42 122.12 1pnx h ASP 121 Ca -0.44 0.06 -0.01 0.00 -0.73 0.00 0.00 57.03 55.91 1pnx h ASP 121 Cb 1.28 -0.06 -0.00 0.00 -0.83 0.00 0.00 39.33 39.72 1pnx h ASP 121 CO 0.57 0.34 0.02 0.03 -1.03 0.00 0.00 179.24 179.17 1pnx h ARG 122 N 0.74 0.11 -0.56 4.15 3.08 -1.94 -1.21 114.38 118.75 1pnx h ARG 122 Ca 0.41 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.52 1pnx h ARG 122 Cb 0.43 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 1pnx h ARG 122 CO -0.27 0.28 0.20 0.93 -1.07 0.00 0.00 179.97 180.03 1pnx h GLU 123 N -0.08 0.36 0.01 0.04 5.08 -1.73 -0.59 114.58 117.67 1pnx h GLU 123 Ca 0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pnx h GLU 123 Cb 0.22 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1pnx h GLU 123 CO -0.00 0.24 -0.01 0.00 -1.00 0.00 0.00 179.01 178.24 1pnx h ALA 124 N 1.38 -0.02 -0.66 3.43 0.00 -0.76 -1.28 119.26 121.36 1pnx h ALA 124 Ca 0.28 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.25 1pnx h ALA 124 Cb 0.32 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1pnx h ALA 124 CO -0.28 -0.51 0.34 -0.09 0.00 0.00 0.00 179.25 178.71 1pnx h ARG 125 N -0.03 0.61 0.00 0.00 2.43 -0.68 0.21 114.38 116.92 1pnx h ARG 125 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1pnx h ARG 125 Cb 0.02 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1pnx h ARG 125 CO -0.00 0.40 0.00 1.17 -1.51 0.00 0.00 179.97 180.03 1pnx n LYS 126 N -4.83 0.00 0.00 0.20 4.81 -0.28 -0.79 118.16 117.27 1pnx n LYS 126 Ca 0.09 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1pnx n LYS 126 Cb 0.20 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.76 1pnx n LYS 126 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1pnx n LEU 127 N -2.24 0.00 -3.82 3.14 7.99 -0.52 -4.80 117.00 116.75 1pnx n LEU 127 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 56.01 55.72 1pnx n LEU 127 Cb 0.00 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.32 1pnx n LEU 127 CO 0.00 0.00 -0.15 0.61 -1.51 0.00 0.00 177.39 176.34 1pnx n GLY 128 N -0.81 -0.55 3.17 -0.72 0.00 0.65 -5.00 105.19 101.94 1pnx n GLY 128 Ca 0.00 0.27 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 1pnx n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pnx s VAL 129 N -3.73 0.08 0.00 1.61 -7.23 -0.70 -4.92 120.40 105.51 1pnx s VAL 129 Ca 0.20 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1pnx s VAL 129 Cb -0.07 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.66 1pnx s VAL 129 CO 0.87 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 1pnx n GLY 130 N -0.16 4.99 0.00 2.32 0.00 -1.26 -4.32 105.19 106.76 1pnx n GLY 130 Ca -0.03 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1pnx n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pnx n GLY 131 N 2.86 0.83 3.55 -0.02 0.00 -0.14 -4.45 105.19 107.82 1pnx n GLY 131 Ca 0.00 -1.62 -0.56 0.00 0.00 0.00 0.00 46.02 43.84 1pnx n GLY 131 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pnx n GLU 132 N -1.57 0.53 -2.75 1.61 2.13 -1.13 -2.80 120.64 116.66 1pnx n GLU 132 Ca 0.00 0.19 -0.43 0.00 0.66 0.00 0.00 57.16 57.58 1pnx n GLU 132 Cb 0.00 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 29.96 1pnx n GLU 132 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1pnx n LEU 133 N 2.06 5.89 -0.39 4.31 0.00 0.15 -1.20 117.00 127.81 1pnx n LEU 133 Ca 0.20 -4.63 -0.08 0.00 0.00 0.00 0.00 56.01 51.49 1pnx n LEU 133 Cb 0.13 -1.53 -0.06 0.00 0.00 0.00 0.00 43.42 41.96 1pnx n LEU 133 CO 0.62 1.10 0.51 0.40 0.00 0.00 0.00 177.39 180.03 1pnx h ILE 134 N 4.13 0.00 -1.93 1.96 2.04 -1.70 -2.57 117.51 119.45 1pnx h ILE 134 Ca 0.33 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.19 1pnx h ILE 134 Cb 0.76 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1pnx h ILE 134 CO 1.38 0.00 0.00 0.00 0.00 0.00 0.00 178.15 179.53 1pnx s GLU 136 N -1.99 0.13 0.00 0.00 2.12 -0.96 -2.13 118.70 115.87 1pnx s GLU 136 Ca 0.00 0.50 0.04 0.00 0.36 0.00 0.00 54.97 55.87 1pnx s GLU 136 Cb 0.00 -0.16 -0.01 0.00 0.26 0.00 0.00 34.13 34.22 1pnx s GLU 136 CO 0.00 -0.20 -0.12 0.08 -0.54 0.00 0.00 175.26 174.48 1pnx s VAL 137 N 1.52 0.91 0.00 3.70 1.01 -0.73 -1.51 120.40 125.30 1pnx s VAL 137 Ca -0.06 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1pnx s VAL 137 Cb -0.11 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.48 1pnx s VAL 137 CO -0.07 0.16 0.00 -2.67 0.00 0.00 0.00 175.10 172.52