#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnm h SER 4 N 0.00 0.00 1.11 -3.46 0.02 -2.02 -3.27 113.55 105.93 1pnm h SER 4 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1pnm h SER 4 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1pnm h SER 4 CO 0.00 0.14 -0.90 0.77 -1.14 0.00 0.00 176.83 175.70 1pnm h SER 5 N 0.00 0.00 -3.43 3.07 4.64 -2.03 -3.45 113.55 112.36 1pnm h SER 5 Ca -0.02 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.76 1pnm h SER 5 Cb 1.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 1pnm h SER 5 CO 0.02 0.08 0.22 -0.70 -0.87 0.00 0.00 176.83 175.58 1pnm s GLU 6 N -3.28 4.53 -0.22 4.77 2.12 -1.23 -5.05 118.70 120.33 1pnm s GLU 6 Ca 0.00 1.16 -0.00 0.00 0.36 0.00 0.00 54.97 56.49 1pnm s GLU 6 Cb 0.09 -3.41 0.06 0.00 0.26 0.00 0.00 34.13 31.13 1pnm s GLU 6 CO 0.78 0.14 -0.04 0.42 -0.54 0.00 0.00 175.26 176.02 1pnm s ILE 7 N 0.41 1.30 -0.21 -3.70 1.01 -1.26 -4.45 121.20 114.30 1pnm s ILE 7 Ca 0.43 -1.05 -0.11 0.00 0.00 0.00 0.00 60.65 59.92 1pnm s ILE 7 Cb -0.20 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 1pnm s ILE 7 CO 0.24 -0.11 0.16 -0.75 0.00 0.00 0.00 174.94 174.48 1pnm s LYS 8 N 1.50 4.16 -0.32 2.79 2.20 -0.58 -4.99 119.74 124.50 1pnm s LYS 8 Ca -0.04 -0.20 -0.01 0.00 -0.36 0.00 0.00 55.97 55.36 1pnm s LYS 8 Cb -0.18 -3.46 0.06 0.00 -1.51 0.00 0.00 37.83 32.74 1pnm s LYS 8 CO -0.07 0.21 0.02 0.42 -0.36 0.00 0.00 175.35 175.58 1pnm s ILE 9 N 0.61 2.88 -0.22 5.43 1.01 -1.26 -1.65 121.20 128.00 1pnm s ILE 9 Ca 0.09 -1.60 -0.07 0.00 0.00 0.00 0.00 60.65 59.07 1pnm s ILE 9 Cb -0.12 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 1pnm s ILE 9 CO 0.01 -0.23 0.05 -0.69 0.00 0.00 0.00 174.94 174.07 1pnm s VAL 10 N 1.19 4.31 -0.11 2.92 1.01 -0.70 -4.95 120.40 124.06 1pnm s VAL 10 Ca -0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 1pnm s VAL 10 Cb -0.20 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1pnm s VAL 10 CO -0.03 0.39 0.09 -0.13 0.00 0.00 0.00 175.10 175.43 1pnm s ARG 11 N 1.13 3.31 0.09 2.72 0.52 -1.26 -1.02 118.95 124.43 1pnm s ARG 11 Ca 0.04 -0.23 -0.01 0.00 -0.52 0.00 0.00 55.73 55.01 1pnm s ARG 11 Cb -0.14 -3.06 0.02 0.00 0.52 0.00 0.00 34.95 32.29 1pnm s ARG 11 CO 0.03 0.73 0.12 -0.40 0.02 0.00 0.00 175.30 175.80 1pnm n ASP 12 N 2.10 0.08 0.19 0.23 5.68 -0.57 -4.85 116.55 119.41 1pnm n ASP 12 Ca -0.19 -1.09 0.13 0.00 -0.50 0.00 0.00 54.79 53.14 1pnm n ASP 12 Cb 0.54 -0.08 0.67 0.00 -1.14 0.00 0.00 41.12 41.12 1pnm n ASP 12 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1pnm h GLU 13 N 0.00 0.00 -0.02 0.11 -0.00 -2.00 0.29 114.58 112.96 1pnm h GLU 13 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.32 1pnm h GLU 13 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.87 1pnm h GLU 13 CO 0.03 0.00 -0.01 0.66 -0.00 0.00 0.00 179.01 179.70 1pnm n TYR 14 N -2.42 0.00 -0.57 2.06 4.01 -1.26 -4.96 117.16 114.03 1pnm n TYR 14 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1pnm n TYR 14 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1pnm n TYR 14 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pnm n GLY 15 N 1.09 0.76 3.66 2.72 0.00 0.10 -5.01 105.19 108.52 1pnm n GLY 15 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1pnm n GLY 15 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pnm s MET 16 N -0.43 4.21 0.30 1.61 0.00 -1.26 -4.64 119.30 119.09 1pnm s MET 16 Ca 0.00 1.71 -0.26 0.00 0.00 0.00 0.00 55.69 57.13 1pnm s MET 16 Cb 0.00 -3.80 -0.10 0.00 0.00 0.00 0.00 34.83 30.94 1pnm s MET 16 CO 0.00 -0.74 0.92 -1.25 0.00 0.00 0.00 175.02 173.95 1pnm s PRO 17 N 3.59 4.61 -0.15 4.11 0.04 -1.26 -1.51 135.00 144.43 1pnm s PRO 17 Ca 0.57 1.32 0.01 0.00 0.04 0.00 0.00 61.00 62.94 1pnm s PRO 17 Cb -0.23 -2.89 0.02 0.00 0.04 0.00 0.00 34.50 31.44 1pnm s PRO 17 CO 0.17 0.33 -0.17 -1.01 0.04 0.00 0.00 177.00 176.36 1pnm s HIS 18 N -1.53 2.36 -0.21 0.56 3.76 -0.19 -5.00 115.29 115.04 1pnm s HIS 18 Ca 0.48 -1.29 -0.06 0.00 -0.15 0.00 0.00 55.06 54.03 1pnm s HIS 18 Cb -0.20 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 31.78 1pnm s HIS 18 CO 0.25 -0.66 0.04 0.42 -0.85 0.00 0.00 174.74 173.94 1pnm s ILE 19 N 1.25 4.35 -0.23 0.60 -1.09 -1.26 -1.73 121.20 123.08 1pnm s ILE 19 Ca 0.01 -0.18 -0.00 0.00 -2.23 0.00 0.00 60.65 58.25 1pnm s ILE 19 Cb -0.14 -2.98 0.03 0.00 -1.58 0.00 0.00 42.46 37.79 1pnm s ILE 19 CO -0.08 0.41 -0.10 -0.31 -1.23 0.00 0.00 174.94 173.63 1pnm s TYR 20 N 0.96 3.03 0.08 3.97 1.51 -0.66 -5.03 117.35 121.21 1pnm s TYR 20 Ca 0.03 -1.70 -0.19 0.00 -1.01 0.00 0.00 57.07 54.20 1pnm s TYR 20 Cb -0.14 -2.01 0.04 0.00 -0.11 0.00 0.00 41.96 39.75 1pnm s TYR 20 CO 0.02 -0.77 0.46 0.00 -1.11 0.00 0.00 175.55 174.16 1pnm s ALA 21 N 1.28 -1.15 -0.13 3.71 0.00 -1.26 -1.53 121.76 122.67 1pnm s ALA 21 Ca -0.00 0.31 0.22 0.00 0.00 0.00 0.00 51.96 52.49 1pnm s ALA 21 Cb -0.16 0.53 -0.17 0.00 0.00 0.00 0.00 23.12 23.32 1pnm s ALA 21 CO -0.07 -0.57 0.75 0.09 0.00 0.00 0.00 175.76 175.97 1pnm n ASN 22 N 0.14 0.43 -4.15 0.00 3.02 -1.26 -4.85 115.26 108.59 1pnm n ASN 22 Ca -0.17 0.17 -0.16 0.00 -0.03 0.00 0.00 54.58 54.38 1pnm n ASN 22 Cb 0.62 1.18 -0.10 0.00 -0.61 0.00 0.00 39.78 40.87 1pnm n ASN 22 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1pnm s ASP 23 N -4.99 1.11 0.07 6.41 1.47 -1.26 -5.05 116.67 114.43 1pnm s ASP 23 Ca -0.04 -1.46 -0.28 0.00 1.18 0.00 0.00 52.55 51.95 1pnm s ASP 23 Cb 0.12 0.30 -0.17 0.00 -0.34 0.00 0.00 42.92 42.82 1pnm s ASP 23 CO 0.85 -0.82 1.64 0.74 0.68 0.00 0.00 175.17 178.26 1pnm h THR 24 N 2.37 0.68 -0.61 2.11 2.02 -1.97 0.81 112.91 118.32 1pnm h THR 24 Ca -0.36 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 66.79 1pnm h THR 24 Cb 1.25 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 1pnm h THR 24 CO 0.55 0.02 0.36 -0.25 0.37 0.00 0.00 175.52 176.56 1pnm h TRP 25 N -0.49 0.66 -0.40 3.16 7.01 -1.94 -0.84 115.95 123.11 1pnm h TRP 25 Ca -0.05 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 60.92 1pnm h TRP 25 Cb 0.37 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.21 1pnm h TRP 25 CO -0.04 0.35 0.03 0.45 -2.79 0.00 0.00 178.44 176.44 1pnm h HIS 26 N 0.69 0.74 0.00 2.65 3.86 -1.91 -1.65 115.15 119.52 1pnm h HIS 26 Ca 0.26 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1pnm h HIS 26 Cb 0.09 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 1pnm h HIS 26 CO -0.07 0.74 -0.01 1.25 0.86 0.00 0.00 177.93 180.70 1pnm h LEU 27 N 0.52 -0.02 -1.00 2.43 5.85 -0.45 -2.41 115.31 120.22 1pnm h LEU 27 Ca 0.12 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 1pnm h LEU 27 Cb 0.43 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1pnm h LEU 27 CO 0.01 -0.01 -0.29 -0.26 -0.34 0.00 0.00 178.44 177.55 1pnm h PHE 28 N -0.01 0.00 -0.16 1.25 0.04 -1.18 -2.66 116.94 114.22 1pnm h PHE 28 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1pnm h PHE 28 Cb 0.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1pnm h PHE 28 CO -0.09 0.29 0.04 -0.92 -0.60 0.00 0.00 178.31 177.04 1pnm h TYR 29 N 0.00 0.26 -0.05 -0.55 5.03 -1.19 -1.11 116.97 119.36 1pnm h TYR 29 Ca -0.00 -0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.31 1pnm h TYR 29 Cb 0.83 -0.07 -0.05 0.00 1.55 0.00 0.00 36.73 38.98 1pnm h TYR 29 CO 0.00 0.38 -0.23 0.78 -1.32 0.00 0.00 178.16 177.77 1pnm h GLY 30 N 0.06 -0.29 0.48 1.82 0.00 -1.21 -1.08 103.07 102.85 1pnm h GLY 30 Ca 0.05 0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.67 1pnm h GLY 30 CO -0.00 -0.19 -0.31 -1.82 0.00 0.00 0.00 176.54 174.21 1pnm h TYR 31 N -0.33 -0.84 -0.66 5.60 5.03 -1.44 -2.04 116.97 122.29 1pnm h TYR 31 Ca 0.08 0.02 0.13 0.00 2.58 0.00 0.00 58.73 61.53 1pnm h TYR 31 Cb 0.44 0.35 -0.10 0.00 1.55 0.00 0.00 36.73 38.98 1pnm h TYR 31 CO -0.29 -0.42 0.15 0.78 -1.32 0.00 0.00 178.16 177.06 1pnm h GLY 32 N -0.55 0.87 0.85 1.82 0.00 -0.99 -2.09 103.07 102.99 1pnm h GLY 32 Ca 0.03 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.33 1pnm h GLY 32 CO -0.17 -0.14 -0.10 -1.82 0.00 0.00 0.00 176.54 174.30 1pnm h TYR 33 N 0.27 -0.27 -0.33 5.60 3.20 -0.87 -2.48 116.97 122.10 1pnm h TYR 33 Ca 0.35 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.13 1pnm h TYR 33 Cb 0.56 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 1pnm h TYR 33 CO -0.25 -0.16 -0.18 -0.39 -1.64 0.00 0.00 178.16 175.53 1pnm h VAL 34 N -0.22 1.26 -0.68 1.81 -1.51 -1.17 -1.93 116.25 113.81 1pnm h VAL 34 Ca 0.01 -1.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.28 1pnm h VAL 34 Cb 0.22 1.20 -0.03 0.00 -2.13 0.00 0.00 31.29 30.56 1pnm h VAL 34 CO -0.04 0.39 0.44 0.58 -1.23 0.00 0.00 177.57 177.71 1pnm h VAL 35 N 0.54 1.18 -0.21 7.19 2.07 -1.34 0.67 116.25 126.35 1pnm h VAL 35 Ca 0.09 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 1pnm h VAL 35 Cb 0.62 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1pnm h VAL 35 CO 0.04 0.18 -0.25 0.00 0.02 0.00 0.00 177.57 177.56 1pnm h ALA 36 N 1.24 1.18 0.10 1.67 0.00 -1.25 0.97 119.26 123.18 1pnm h ALA 36 Ca 0.25 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1pnm h ALA 36 Cb -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1pnm h ALA 36 CO -0.05 0.53 -0.05 1.96 0.00 0.00 0.00 179.25 181.64 1pnm h GLN 37 N 0.35 -0.13 0.02 0.00 4.20 -0.49 -3.31 115.11 115.76 1pnm h GLN 37 Ca 0.05 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 1pnm h GLN 37 Cb 0.64 0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.45 1pnm h GLN 37 CO 0.05 0.15 -0.25 -0.44 -0.67 0.00 0.00 178.83 177.67 1pnm h ASP 38 N -0.41 0.18 -0.68 1.46 3.32 -0.81 -3.43 116.42 116.06 1pnm h ASP 38 Ca -0.01 -0.87 -0.45 0.00 0.02 0.00 0.00 57.03 55.72 1pnm h ASP 38 Cb 0.34 -0.06 -0.42 0.00 0.22 0.00 0.00 39.33 39.42 1pnm h ASP 38 CO 0.02 1.03 -0.92 0.54 -1.72 0.00 0.00 179.24 178.19 1pnm n ARG 39 N -4.49 2.96 -0.13 3.56 5.12 0.33 -4.95 116.66 119.05 1pnm n ARG 39 Ca -0.10 -3.95 -0.08 0.00 -1.93 0.00 0.00 57.85 51.78 1pnm n ARG 39 Cb 0.54 -2.05 -0.00 0.00 -1.16 0.00 0.00 32.46 29.79 1pnm n ARG 39 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1pnm h LEU 40 N 2.35 0.49 -0.33 0.55 5.85 -1.64 -0.73 115.31 121.84 1pnm h LEU 40 Ca 0.19 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 1pnm h LEU 40 Cb 1.43 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1pnm h LEU 40 CO 0.57 0.41 -0.03 0.15 -0.34 0.00 0.00 178.44 179.20 1pnm h PHE 41 N 0.53 0.67 -0.17 1.25 3.57 -1.92 -0.69 116.94 120.18 1pnm h PHE 41 Ca 0.14 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1pnm h PHE 41 Cb 0.01 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 1pnm h PHE 41 CO -0.03 0.75 -0.06 0.37 -2.23 0.00 0.00 178.31 177.11 1pnm h GLN 42 N 0.41 -0.02 -0.79 1.11 4.15 -1.93 -0.80 115.11 117.23 1pnm h GLN 42 Ca 0.09 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 1pnm h GLN 42 Cb 0.50 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.16 1pnm h GLN 42 CO 0.02 -0.01 0.41 0.52 -1.93 0.00 0.00 178.83 177.84 1pnm h MET 43 N -0.02 1.12 -0.57 1.69 2.86 -1.02 0.63 114.93 119.62 1pnm h MET 43 Ca 0.09 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1pnm h MET 43 Cb 0.15 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 1pnm h MET 43 CO -0.19 0.84 0.28 1.49 1.06 0.00 0.00 176.91 180.39 1pnm h GLU 44 N 1.11 0.82 -0.11 1.72 4.57 -0.72 0.53 114.58 122.49 1pnm h GLU 44 Ca 0.28 -0.12 -0.17 0.00 -1.18 0.00 0.00 59.36 58.17 1pnm h GLU 44 Cb 0.07 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1pnm h GLU 44 CO -0.04 0.67 -0.65 0.52 -1.18 0.00 0.00 179.01 178.33 1pnm h MET 45 N 0.78 0.43 -0.49 1.92 2.86 -0.88 -1.95 114.93 117.59 1pnm h MET 45 Ca 0.20 -0.31 -0.12 0.00 -2.06 0.00 0.00 59.70 57.40 1pnm h MET 45 Cb 0.11 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1pnm h MET 45 CO -0.03 0.93 -0.17 0.00 1.06 0.00 0.00 176.91 178.71 1pnm h ALA 46 N 0.99 0.77 -0.23 6.32 0.00 -0.72 -1.13 119.26 125.26 1pnm h ALA 46 Ca -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1pnm h ALA 46 Cb 1.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1pnm h ALA 46 CO 0.11 0.66 0.12 -0.09 0.00 0.00 0.00 179.25 180.06 1pnm h ARG 47 N 0.84 0.33 -0.05 0.00 2.43 0.52 -2.44 114.38 116.02 1pnm h ARG 47 Ca 0.12 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1pnm h ARG 47 Cb 0.73 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1pnm h ARG 47 CO 0.06 0.32 -0.25 0.00 -1.51 0.00 0.00 179.97 178.59 1pnm h ARG 48 N 0.26 0.08 -0.21 0.20 3.08 -1.18 -2.78 114.38 113.82 1pnm h ARG 48 Ca 0.08 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1pnm h ARG 48 Cb 0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1pnm h ARG 48 CO -0.01 0.33 -0.08 0.77 -1.07 0.00 0.00 179.97 179.90 1pnm h SER 49 N 0.07 0.44 1.36 7.04 0.02 -1.16 0.63 113.55 121.94 1pnm h SER 49 Ca 0.01 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1pnm h SER 49 Cb 0.48 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1pnm h SER 49 CO 0.03 0.74 0.00 0.71 -1.14 0.00 0.00 176.83 177.17 1pnm h THR 50 N 0.14 0.00 -0.00 -2.27 1.35 -1.39 -3.23 112.91 107.51 1pnm h THR 50 Ca 0.05 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1pnm h THR 50 Cb 0.56 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1pnm h THR 50 CO 0.03 0.00 -0.31 0.00 -0.25 0.00 0.00 175.52 174.99 1pnm n GLN 51 N -2.88 2.90 -2.32 4.72 6.02 -1.06 -4.81 117.38 119.95 1pnm n GLN 51 Ca 0.02 -0.33 -0.06 0.00 -0.01 0.00 0.00 57.00 56.63 1pnm n GLN 51 Cb 0.38 -1.02 0.03 0.00 1.02 0.00 0.00 30.24 30.65 1pnm n GLN 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pnm n GLY 52 N 1.04 0.18 0.72 1.08 0.00 -0.41 -4.61 105.19 103.18 1pnm n GLY 52 Ca 0.03 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.96 1pnm n GLY 52 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pnm n THR 53 N -2.10 1.41 0.00 2.61 -2.24 0.21 -4.76 114.28 109.42 1pnm n THR 53 Ca -0.07 -2.24 -0.15 0.00 -2.27 0.00 0.00 64.05 59.32 1pnm n THR 53 Cb 0.55 0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.87 1pnm n THR 53 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1pnm h VAL 54 N 2.84 1.30 0.00 2.28 2.07 -1.90 -3.26 116.25 119.58 1pnm h VAL 54 Ca -0.06 -2.03 -0.02 0.00 0.82 0.00 0.00 66.70 65.41 1pnm h VAL 54 Cb 1.26 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1pnm h VAL 54 CO 0.02 0.63 -0.08 0.00 0.02 0.00 0.00 177.57 178.17 1pnm h ALA 55 N 0.66 1.80 -0.40 1.67 0.00 -1.78 0.30 119.26 121.50 1pnm h ALA 55 Ca -0.05 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1pnm h ALA 55 Cb 1.39 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 1pnm h ALA 55 CO 0.15 0.10 0.05 0.93 0.00 0.00 0.00 179.25 180.48 1pnm h GLU 56 N 0.00 0.17 0.00 0.00 5.08 -1.87 0.66 114.58 118.62 1pnm h GLU 56 Ca -0.00 -0.01 -0.35 0.00 -1.00 0.00 0.00 59.36 58.00 1pnm h GLU 56 Cb 0.14 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 1pnm h GLU 56 CO 0.01 0.11 -2.22 1.33 -1.00 0.00 0.00 179.01 177.24 1pnm n VAL 57 N -5.13 1.46 0.53 3.13 0.24 -1.10 -4.62 118.33 112.84 1pnm n VAL 57 Ca 0.03 -0.83 0.10 0.00 -2.04 0.00 0.00 64.34 61.60 1pnm n VAL 57 Cb 0.19 -0.68 -0.13 0.00 -1.47 0.00 0.00 33.84 31.75 1pnm n VAL 57 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1pnm n LEU 58 N -2.86 0.53 0.00 1.34 4.77 0.10 -5.01 117.00 115.87 1pnm n LEU 58 Ca -0.30 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 1pnm n LEU 58 Cb 1.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.21 1pnm n LEU 58 CO 0.43 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1pnm n GLY 59 N 1.41 -3.04 0.33 -0.72 0.00 0.23 -4.74 105.19 98.67 1pnm n GLY 59 Ca 0.00 -2.10 0.25 0.00 0.00 0.00 0.00 46.02 44.18 1pnm n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pnm h LYS 60 N 0.16 0.22 0.00 1.61 1.57 -1.97 -2.25 116.57 115.91 1pnm h LYS 60 Ca 0.00 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1pnm h LYS 60 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1pnm h LYS 60 CO 0.00 0.15 -0.17 -0.44 -0.57 0.00 0.00 179.45 178.42 1pnm h ASP 61 N 0.23 0.00 -0.13 0.86 3.32 -1.96 -3.06 116.42 115.68 1pnm h ASP 61 Ca 0.76 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.81 1pnm h ASP 61 Cb 1.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.35 1pnm h ASP 61 CO -0.66 0.17 0.00 0.49 -1.72 0.00 0.00 179.24 177.52 1pnm n PHE 62 N -4.08 0.15 -0.00 4.55 3.01 -0.85 -4.57 117.46 115.67 1pnm n PHE 62 Ca -0.02 -0.07 -0.10 0.00 1.01 0.00 0.00 57.45 58.26 1pnm n PHE 62 Cb 0.25 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.67 1pnm n PHE 62 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1pnm h VAL 63 N 3.70 0.93 -0.36 -4.37 2.07 -1.67 -0.28 116.25 116.28 1pnm h VAL 63 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1pnm h VAL 63 Cb 0.80 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1pnm h VAL 63 CO 0.00 0.01 0.23 0.50 0.02 0.00 0.00 177.57 178.33 1pnm h LYS 64 N 0.04 0.47 -0.05 1.57 3.64 -1.83 -0.60 116.57 119.82 1pnm h LYS 64 Ca 0.05 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1pnm h LYS 64 Cb 0.05 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 1pnm h LYS 64 CO -0.08 0.32 -0.29 0.35 -2.27 0.00 0.00 179.45 177.48 1pnm h PHE 65 N 0.48 -0.79 -0.14 1.91 3.57 -1.78 -0.42 116.94 119.78 1pnm h PHE 65 Ca 0.13 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.70 1pnm h PHE 65 Cb -0.05 0.36 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 1pnm h PHE 65 CO -0.05 -0.38 -0.19 -0.44 -2.23 0.00 0.00 178.31 175.02 1pnm h ASP 66 N -0.41 -0.58 -0.62 0.41 3.32 -0.83 -0.51 116.42 117.19 1pnm h ASP 66 Ca 0.07 0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.24 1pnm h ASP 66 Cb 0.52 0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 1pnm h ASP 66 CO -0.28 -0.24 0.40 0.11 -1.72 0.00 0.00 179.24 177.51 1pnm h LYS 67 N -0.23 0.78 -0.37 3.56 1.57 -0.83 -2.03 116.57 119.02 1pnm h LYS 67 Ca 0.10 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1pnm h LYS 67 Cb 0.38 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1pnm h LYS 67 CO -0.27 0.52 0.19 -0.44 -0.57 0.00 0.00 179.45 178.87 1pnm h ASP 68 N 0.80 0.48 0.34 0.86 3.32 -0.76 -2.04 116.42 119.42 1pnm h ASP 68 Ca 0.24 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1pnm h ASP 68 Cb -0.05 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1pnm h ASP 68 CO -0.07 0.45 -0.27 0.40 -1.72 0.00 0.00 179.24 178.03 1pnm h ILE 69 N 0.47 0.44 -0.91 0.35 1.08 -0.85 -3.06 117.51 115.04 1pnm h ILE 69 Ca 0.13 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.70 1pnm h ILE 69 Cb 0.09 0.44 -0.08 0.00 -3.07 0.00 0.00 36.82 34.20 1pnm h ILE 69 CO -0.02 0.00 0.55 0.03 -0.69 0.00 0.00 178.15 178.02 1pnm h ARG 70 N -0.61 0.87 0.00 2.37 3.08 -1.30 -2.36 114.38 116.43 1pnm h ARG 70 Ca -0.03 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1pnm h ARG 70 Cb 0.53 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1pnm h ARG 70 CO -0.01 0.58 -0.00 0.00 -1.07 0.00 0.00 179.97 179.47 1pnm h ARG 71 N 0.90 0.00 -0.34 0.04 3.08 -1.33 -3.09 114.38 113.64 1pnm h ARG 71 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.49 1pnm h ARG 71 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1pnm h ARG 71 CO -0.25 0.00 0.00 -1.71 -1.07 0.00 0.00 179.97 176.95 1pnm n ASN 72 N -3.10 2.34 -3.97 7.04 5.15 -0.89 -4.96 115.26 116.88 1pnm n ASN 72 Ca -0.01 -1.89 -0.09 0.00 -0.60 0.00 0.00 54.58 51.99 1pnm n ASN 72 Cb 0.18 -0.22 -0.05 0.00 -0.53 0.00 0.00 39.78 39.16 1pnm n ASN 72 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1pnm s TYR 73 N -1.55 0.27 -0.39 1.20 1.13 -1.17 -5.12 117.35 111.71 1pnm s TYR 73 Ca 0.33 -0.64 0.03 0.00 -1.41 0.00 0.00 57.07 55.37 1pnm s TYR 73 Cb 0.18 0.26 0.11 0.00 -1.10 0.00 0.00 41.96 41.41 1pnm s TYR 73 CO 0.25 -1.01 0.14 -0.46 -2.51 0.00 0.00 175.55 171.96 1pnm s TRP 74 N -4.00 2.87 0.25 -3.49 -0.11 -1.26 -4.96 118.94 108.24 1pnm s TRP 74 Ca 0.20 -2.67 -0.05 0.00 1.22 0.00 0.00 56.10 54.80 1pnm s TRP 74 Cb -0.01 -2.46 0.48 0.00 -1.50 0.00 0.00 33.47 29.98 1pnm s TRP 74 CO 0.08 -0.86 1.67 -1.00 -4.62 0.00 0.00 176.95 172.22 1pnm h PRO 75 N 7.30 0.20 -0.85 5.86 0.13 -2.00 -1.05 132.00 141.60 1pnm h PRO 75 Ca -0.06 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.12 1pnm h PRO 75 Cb 0.97 -0.05 -0.06 0.00 0.13 0.00 0.00 31.00 32.00 1pnm h PRO 75 CO 0.54 0.13 0.56 -0.44 -0.23 0.00 0.00 178.00 178.56 1pnm h ASP 76 N 0.21 0.82 0.15 1.44 5.19 -1.99 -0.90 116.42 121.34 1pnm h ASP 76 Ca 0.43 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.77 1pnm h ASP 76 Cb 0.75 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 1pnm h ASP 76 CO -0.57 0.52 -0.25 0.00 -3.12 0.00 0.00 179.24 175.82 1pnm h ALA 77 N 1.54 1.38 -0.08 3.45 0.00 -1.63 -2.59 119.26 121.34 1pnm h ALA 77 Ca 0.37 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1pnm h ALA 77 Cb 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1pnm h ALA 77 CO -0.14 0.43 -0.54 0.82 0.00 0.00 0.00 179.25 179.83 1pnm h ILE 78 N 0.17 1.38 -0.89 0.00 1.08 -1.15 -3.09 117.51 115.02 1pnm h ILE 78 Ca 0.03 -1.89 -0.01 0.00 -0.39 0.00 0.00 64.86 62.59 1pnm h ILE 78 Cb 0.55 2.29 -0.04 0.00 -3.07 0.00 0.00 36.82 36.54 1pnm h ILE 78 CO 0.04 0.56 0.50 0.03 -0.69 0.00 0.00 178.15 178.59 1pnm h ARG 79 N 0.07 1.23 -0.42 2.37 3.08 -1.11 -2.29 114.38 117.32 1pnm h ARG 79 Ca -0.05 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 1pnm h ARG 79 Cb 1.20 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 1pnm h ARG 79 CO 0.11 0.89 0.05 0.00 -1.07 0.00 0.00 179.97 179.95 1pnm h ALA 80 N 1.27 1.30 -0.07 0.04 0.00 -1.56 0.10 119.26 120.33 1pnm h ALA 80 Ca 0.31 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1pnm h ALA 80 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1pnm h ALA 80 CO -0.05 0.48 -0.67 1.96 0.00 0.00 0.00 179.25 180.97 1pnm h GLN 81 N 0.63 0.32 -0.12 0.00 4.20 -1.35 -2.73 115.11 116.06 1pnm h GLN 81 Ca 0.14 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1pnm h GLN 81 Cb 0.32 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1pnm h GLN 81 CO 0.01 0.88 -0.07 0.82 -0.67 0.00 0.00 178.83 179.79 1pnm h ILE 82 N 0.22 1.33 -0.42 2.54 2.04 -0.86 -3.16 117.51 119.21 1pnm h ILE 82 Ca -0.02 -1.14 0.06 0.00 1.00 0.00 0.00 64.86 64.76 1pnm h ILE 82 Cb 1.22 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 39.10 1pnm h ILE 82 CO 0.11 0.33 0.28 0.00 0.00 0.00 0.00 178.15 178.87 1pnm h ALA 83 N 0.64 1.98 -0.00 1.87 0.00 -0.83 -1.25 119.26 121.67 1pnm h ALA 83 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pnm h ALA 83 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1pnm h ALA 83 CO 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 179.25 179.20 1pnm n ALA 84 N -2.52 2.58 -1.65 0.00 0.00 -1.03 -4.91 120.51 112.97 1pnm n ALA 84 Ca 0.05 -0.18 -0.33 0.00 0.00 0.00 0.00 53.44 52.98 1pnm n ALA 84 Cb 0.25 -1.48 0.02 0.00 0.00 0.00 0.00 19.45 18.24 1pnm n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pnm s LEU 85 N -2.39 3.54 0.61 0.00 1.43 -0.47 -5.03 118.68 116.37 1pnm s LEU 85 Ca 0.34 1.94 -0.14 0.00 -1.03 0.00 0.00 54.13 55.25 1pnm s LEU 85 Cb 0.21 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.85 1pnm s LEU 85 CO 0.44 -1.27 1.04 -0.94 0.23 0.00 0.00 176.35 175.84 1pnm s SER 86 N -2.47 5.90 0.36 2.29 1.04 -1.26 -4.77 113.70 114.78 1pnm s SER 86 Ca 0.66 1.65 0.06 0.00 0.48 0.00 0.00 55.95 58.80 1pnm s SER 86 Cb -0.19 -2.51 0.75 0.00 0.10 0.00 0.00 66.02 64.17 1pnm s SER 86 CO 0.35 -1.09 1.95 -0.65 0.98 0.00 0.00 173.24 174.78 1pnm h PRO 87 N 0.07 0.73 -0.21 4.02 0.11 -1.97 0.41 132.00 135.15 1pnm h PRO 87 Ca -0.45 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1pnm h PRO 87 Cb 1.21 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1pnm h PRO 87 CO 0.59 0.48 -0.09 1.49 -0.21 0.00 0.00 178.00 180.26 1pnm h GLU 88 N 0.75 0.43 -0.34 1.05 4.22 -2.00 -2.04 114.58 116.65 1pnm h GLU 88 Ca 0.33 -0.18 -0.03 0.00 0.08 0.00 0.00 59.36 59.56 1pnm h GLU 88 Cb 0.31 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1pnm h GLU 88 CO -0.11 0.71 0.11 -0.44 -2.18 0.00 0.00 179.01 177.09 1pnm h ASP 89 N 0.14 0.49 -0.67 1.04 3.32 -1.73 -2.99 116.42 116.03 1pnm h ASP 89 Ca 0.05 -0.20 0.07 0.00 0.02 0.00 0.00 57.03 56.96 1pnm h ASP 89 Cb 0.57 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 1pnm h ASP 89 CO 0.03 0.57 0.44 -0.03 -1.72 0.00 0.00 179.24 178.53 1pnm h MET 90 N 0.40 0.64 -0.88 3.56 4.05 -0.22 -2.88 114.93 119.59 1pnm h MET 90 Ca 0.11 -0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.56 1pnm h MET 90 Cb 0.25 -0.14 -0.06 0.00 -0.80 0.00 0.00 31.60 30.84 1pnm h MET 90 CO -0.00 0.42 0.55 0.77 0.23 0.00 0.00 176.91 178.88 1pnm h SER 91 N 0.66 0.86 -0.13 1.39 0.02 -1.20 -0.89 113.55 114.25 1pnm h SER 91 Ca 0.29 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.31 1pnm h SER 91 Cb 0.30 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.62 1pnm h SER 91 CO -0.09 0.54 -0.25 0.40 -1.14 0.00 0.00 176.83 176.29 1pnm h ILE 92 N 0.99 0.39 -0.30 3.27 2.04 -1.56 1.61 117.51 123.96 1pnm h ILE 92 Ca 0.39 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 66.07 1pnm h ILE 92 Cb 0.19 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1pnm h ILE 92 CO -0.18 0.00 -0.51 -0.07 0.00 0.00 0.00 178.15 177.39 1pnm h LEU 93 N -0.32 0.93 -0.04 1.44 3.38 -1.60 -2.33 115.31 116.77 1pnm h LEU 93 Ca 0.10 -0.48 -0.08 0.00 0.09 0.00 0.00 57.88 57.51 1pnm h LEU 93 Cb 0.47 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1pnm h LEU 93 CO -0.32 1.26 -0.30 -0.61 0.09 0.00 0.00 178.44 178.57 1pnm h GLN 94 N 0.66 0.27 -0.23 1.13 5.75 -1.06 -2.49 115.11 119.15 1pnm h GLN 94 Ca 0.03 -0.24 0.03 0.00 -0.15 0.00 0.00 58.65 58.31 1pnm h GLN 94 Cb 1.10 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.66 1pnm h GLN 94 CO 0.11 0.91 -0.36 0.78 -2.65 0.00 0.00 178.83 177.62 1pnm h GLY 95 N -0.28 -1.32 -0.40 2.39 0.00 0.23 -0.42 103.07 103.27 1pnm h GLY 95 Ca -0.03 0.74 0.05 0.00 0.00 0.00 0.00 47.33 48.10 1pnm h GLY 95 CO 0.06 -0.34 -0.55 -1.82 0.00 0.00 0.00 176.54 173.89 1pnm h TYR 96 N -0.29 -1.69 -0.84 5.60 5.03 -1.25 0.16 116.97 123.70 1pnm h TYR 96 Ca 0.04 0.08 0.08 0.00 2.58 0.00 0.00 58.73 61.51 1pnm h TYR 96 Cb 0.40 0.79 -0.07 0.00 1.55 0.00 0.00 36.73 39.41 1pnm h TYR 96 CO -0.65 -0.49 0.50 0.00 -1.32 0.00 0.00 178.16 176.19 1pnm h ALA 97 N -0.03 1.17 -0.02 1.82 0.00 -1.21 -2.56 119.26 118.43 1pnm h ALA 97 Ca 0.07 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pnm h ALA 97 Cb 0.60 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1pnm h ALA 97 CO -0.59 0.18 0.01 -0.44 0.00 0.00 0.00 179.25 178.41 1pnm h ASP 98 N 0.87 0.03 -0.39 0.00 3.32 -0.63 -1.58 116.42 118.03 1pnm h ASP 98 Ca 0.38 -0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.45 1pnm h ASP 98 Cb 0.26 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.72 1pnm h ASP 98 CO -0.21 0.08 -0.19 1.23 -1.72 0.00 0.00 179.24 178.43 1pnm h GLY 99 N -0.03 0.09 0.97 2.75 0.00 -0.80 -1.06 103.07 104.98 1pnm h GLY 99 Ca 0.01 0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1pnm h GLY 99 CO -0.00 -0.19 0.20 -0.33 0.00 0.00 0.00 176.54 176.21 1pnm h MET 100 N -0.12 0.50 -0.68 4.80 2.86 -1.39 -3.01 114.93 117.89 1pnm h MET 100 Ca 0.19 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1pnm h MET 100 Cb 0.42 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 1pnm h MET 100 CO -0.47 0.41 0.43 -0.91 1.06 0.00 0.00 176.91 177.43 1pnm h ASN 101 N 0.46 0.72 -0.21 1.22 2.35 -0.73 0.11 115.58 119.49 1pnm h ASN 101 Ca 0.13 -0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.93 1pnm h ASN 101 Cb 0.05 -0.16 -0.07 0.00 0.05 0.00 0.00 38.32 38.19 1pnm h ASN 101 CO -0.02 0.50 -0.33 0.00 -1.65 0.00 0.00 177.43 175.93 1pnm h ALA 102 N 1.28 -0.33 -0.19 -0.83 0.00 -1.15 0.18 119.26 118.21 1pnm h ALA 102 Ca 0.27 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 1pnm h ALA 102 Cb -0.02 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1pnm h ALA 102 CO -0.09 -0.79 -0.45 2.35 0.00 0.00 0.00 179.25 180.27 1pnm h TRP 103 N -0.36 0.56 -0.36 0.00 2.91 -1.37 -3.00 115.95 114.34 1pnm h TRP 103 Ca 0.12 -0.17 -0.07 0.00 1.13 0.00 0.00 58.89 59.90 1pnm h TRP 103 Cb 0.55 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.06 1pnm h TRP 103 CO -0.45 0.83 -0.07 0.82 -1.03 0.00 0.00 178.44 178.54 1pnm h ILE 104 N 0.38 1.23 0.10 2.65 2.04 0.22 -2.47 117.51 121.65 1pnm h ILE 104 Ca 0.03 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 64.90 1pnm h ILE 104 Cb 0.94 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1pnm h ILE 104 CO 0.08 0.33 -0.05 0.44 0.00 0.00 0.00 178.15 178.96 1pnm h ASP 105 N 0.56 -0.11 -0.60 1.72 3.32 -0.64 -0.52 116.42 120.15 1pnm h ASP 105 Ca 0.11 -0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.14 1pnm h ASP 105 Cb 0.46 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.99 1pnm h ASP 105 CO 0.02 -0.02 0.33 0.11 -1.72 0.00 0.00 179.24 177.97 1pnm h LYS 106 N -0.20 0.62 -0.24 3.56 1.57 -1.36 -2.27 116.57 118.25 1pnm h LYS 106 Ca -0.01 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1pnm h LYS 106 Cb 0.16 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1pnm h LYS 106 CO 0.02 0.41 0.08 0.28 -0.57 0.00 0.00 179.45 179.67 1pnm h VAL 107 N 0.64 0.93 0.00 0.50 2.07 -1.34 -1.48 116.25 117.57 1pnm h VAL 107 Ca 0.26 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.72 1pnm h VAL 107 Cb 0.12 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1pnm h VAL 107 CO -0.15 0.03 0.00 0.59 0.02 0.00 0.00 177.57 178.06 1pnm n ASN 108 N -5.05 0.29 -0.02 0.57 3.02 -0.21 -2.24 115.26 111.63 1pnm n ASN 108 Ca -0.02 0.55 -0.10 0.00 -0.03 0.00 0.00 54.58 54.99 1pnm n ASN 108 Cb 0.09 -0.62 -0.14 0.00 -0.61 0.00 0.00 39.78 38.50 1pnm n ASN 108 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1pnm n THR 109 N -1.80 1.63 -3.05 3.41 -1.04 -0.88 -4.65 114.28 107.89 1pnm n THR 109 Ca 0.04 -0.78 -0.17 0.00 -2.04 0.00 0.00 64.05 61.10 1pnm n THR 109 Cb 0.26 -1.11 -0.01 0.00 -1.82 0.00 0.00 70.33 67.65 1pnm n THR 109 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1pnm n ASN 110 N -3.09 -0.48 0.00 8.00 4.05 -0.59 -4.97 115.26 118.18 1pnm n ASN 110 Ca -0.18 -3.04 0.12 0.00 0.45 0.00 0.00 54.58 51.93 1pnm n ASN 110 Cb 1.05 0.14 0.69 0.00 1.23 0.00 0.00 39.78 42.89 1pnm n ASN 110 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1pnm n PRO 111 N 0.94 0.63 0.14 1.20 -0.05 -0.95 -1.46 135.00 135.45 1pnm n PRO 111 Ca 0.18 0.02 0.12 0.00 -0.05 0.00 0.00 63.50 63.78 1pnm n PRO 111 Cb 0.61 -1.50 0.23 0.00 -0.05 0.00 0.00 33.50 32.79 1pnm n PRO 111 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 175.50 176.38 1pnm h GLU 112 N 0.00 0.00 0.00 0.54 3.07 -1.93 -3.31 114.58 112.95 1pnm h GLU 112 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1pnm h GLU 112 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1pnm h GLU 112 CO 0.00 0.00 -0.24 0.25 -1.40 0.00 0.00 179.01 177.62 1pnm n THR 113 N -2.62 0.00 0.08 1.13 -2.24 -1.15 -4.92 114.28 104.56 1pnm n THR 113 Ca 0.04 -0.02 0.06 0.00 -2.27 0.00 0.00 64.05 61.86 1pnm n THR 113 Cb 0.49 0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 68.91 1pnm n THR 113 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1pnm n LEU 114 N -0.41 0.09 -4.67 3.22 4.77 -0.54 -4.98 117.00 114.48 1pnm n LEU 114 Ca 0.00 -0.08 -0.43 0.00 -0.03 0.00 0.00 56.01 55.48 1pnm n LEU 114 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1pnm n LEU 114 CO 0.00 0.02 0.99 -0.22 -1.33 0.00 0.00 177.39 176.85 1pnm s LEU 115 N -3.66 4.23 0.04 2.23 2.96 -1.25 -4.89 118.68 118.34 1pnm s LEU 115 Ca -0.03 1.72 -0.37 0.00 -0.22 0.00 0.00 54.13 55.23 1pnm s LEU 115 Cb 0.08 -3.55 -0.17 0.00 0.50 0.00 0.00 46.19 43.05 1pnm s LEU 115 CO 0.51 -0.65 1.35 -2.65 -1.32 0.00 0.00 176.35 173.59 1pnm n PRO 116 N 5.82 1.05 -0.31 0.98 -0.02 -1.26 -4.85 135.00 136.40 1pnm n PRO 116 Ca 0.12 0.38 0.17 0.00 -2.02 0.00 0.00 63.50 62.15 1pnm n PRO 116 Cb 0.46 -2.01 0.36 0.00 -0.02 0.00 0.00 33.50 32.28 1pnm n PRO 116 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1pnm h LYS 117 N 4.66 0.25 -0.24 -0.52 3.64 -1.99 -2.22 116.57 120.15 1pnm h LYS 117 Ca -0.48 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 58.96 1pnm h LYS 117 Cb 1.34 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1pnm h LYS 117 CO 0.78 0.17 0.19 1.96 -2.27 0.00 0.00 179.45 180.28 1pnm h GLN 118 N 0.26 0.00 -0.59 1.90 7.50 -1.99 -1.62 115.11 120.57 1pnm h GLN 118 Ca 0.62 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.68 1pnm h GLN 118 Cb 1.31 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.82 1pnm h GLN 118 CO -0.64 0.00 0.03 0.74 -1.50 0.00 0.00 178.83 177.46 1pnm h PHE 119 N 0.00 1.10 -0.01 2.96 0.04 -1.65 0.22 116.94 119.60 1pnm h PHE 119 Ca 0.12 -0.18 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 1pnm h PHE 119 Cb 0.50 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 1pnm h PHE 119 CO 0.00 0.97 0.00 -0.91 -0.60 0.00 0.00 178.31 177.78 1pnm h ASN 120 N 0.91 0.01 -0.34 2.17 2.35 -1.42 -0.40 115.58 118.86 1pnm h ASN 120 Ca 0.17 -0.21 0.06 0.00 -0.55 0.00 0.00 56.30 55.77 1pnm h ASN 120 Cb 0.52 -0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.83 1pnm h ASN 120 CO 0.02 0.22 -0.04 0.74 -1.65 0.00 0.00 177.43 176.73 1pnm h THR 121 N -0.20 0.71 0.00 2.81 2.02 -1.04 -2.59 112.91 114.62 1pnm h THR 121 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1pnm h THR 121 Cb 0.22 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1pnm h THR 121 CO -0.00 0.01 -0.12 0.49 0.37 0.00 0.00 175.52 176.27 1pnm n PHE 122 N -5.22 0.10 -2.98 3.16 3.72 0.73 -4.98 117.46 111.99 1pnm n PHE 122 Ca 0.01 0.03 -0.12 0.00 -0.05 0.00 0.00 57.45 57.32 1pnm n PHE 122 Cb 0.18 -0.49 0.06 0.00 -0.94 0.00 0.00 39.48 38.28 1pnm n PHE 122 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pnm n GLY 123 N 1.48 -0.06 3.71 1.37 0.00 -0.28 -4.97 105.19 106.45 1pnm n GLY 123 Ca 0.06 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1pnm n GLY 123 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pnm s PHE 124 N -3.22 0.26 0.10 1.61 -0.71 -0.51 -5.04 117.98 110.47 1pnm s PHE 124 Ca 0.09 -0.73 0.02 0.00 -1.04 0.00 0.00 56.93 55.27 1pnm s PHE 124 Cb -0.04 0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 42.22 1pnm s PHE 124 CO 0.47 -1.27 -0.07 0.95 -1.34 0.00 0.00 175.22 173.95 1pnm s THR 125 N -3.26 0.77 0.35 -4.49 -4.23 -1.26 -4.38 115.64 99.14 1pnm s THR 125 Ca 0.19 -1.87 -0.28 0.00 -1.18 0.00 0.00 61.69 58.55 1pnm s THR 125 Cb -0.03 -1.60 -0.10 0.00 1.34 0.00 0.00 72.50 72.10 1pnm s THR 125 CO 0.11 -0.79 1.30 -2.16 -0.54 0.00 0.00 174.62 172.54 1pnm s PRO 126 N -3.57 4.26 0.30 3.99 0.04 -1.26 -5.05 135.00 133.71 1pnm s PRO 126 Ca 0.10 2.18 0.08 0.00 0.04 0.00 0.00 61.00 63.41 1pnm s PRO 126 Cb 0.03 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 1pnm s PRO 126 CO -0.03 -0.26 0.13 0.15 0.04 0.00 0.00 177.00 177.03 1pnm s LYS 127 N -1.91 2.49 0.44 4.56 1.02 -1.26 -5.04 119.74 120.03 1pnm s LYS 127 Ca 0.51 -1.40 -0.21 0.00 0.02 0.00 0.00 55.97 54.89 1pnm s LYS 127 Cb -0.39 -2.28 -0.11 0.00 -0.52 0.00 0.00 37.83 34.54 1pnm s LYS 127 CO 0.51 0.22 0.96 1.03 -0.92 0.00 0.00 175.35 177.16 1pnm s ARG 128 N -3.82 4.16 0.08 1.68 0.52 -1.26 -5.04 118.95 115.27 1pnm s ARG 128 Ca 0.36 1.16 0.01 0.00 -0.52 0.00 0.00 55.73 56.73 1pnm s ARG 128 Cb -0.05 -2.17 -0.04 0.00 0.52 0.00 0.00 34.95 33.21 1pnm s ARG 128 CO 0.23 -0.09 0.20 -1.58 0.02 0.00 0.00 175.30 174.07 1pnm s TRP 129 N -2.14 3.46 0.25 -0.53 0.52 -1.26 -5.12 118.94 114.12 1pnm s TRP 129 Ca 0.63 0.20 0.05 0.00 0.02 0.00 0.00 56.10 57.00 1pnm s TRP 129 Cb -0.10 -1.72 -0.05 0.00 -1.15 0.00 0.00 33.47 30.44 1pnm s TRP 129 CO 0.14 0.57 -0.02 -1.83 0.02 0.00 0.00 176.95 175.83 1pnm s GLU 130 N -2.59 1.43 0.36 4.98 -1.05 -1.26 -4.77 118.70 115.80 1pnm s GLU 130 Ca 0.34 -1.73 0.15 0.00 -0.15 0.00 0.00 54.97 53.58 1pnm s GLU 130 Cb -0.13 -0.81 1.01 0.00 -0.44 0.00 0.00 34.13 33.77 1pnm s GLU 130 CO 0.27 -0.06 1.74 -1.35 0.95 0.00 0.00 175.26 176.81 1pnm h PRO 131 N 2.38 0.45 -0.77 -4.83 0.11 -1.93 -0.81 132.00 126.61 1pnm h PRO 131 Ca -0.39 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.78 1pnm h PRO 131 Cb 1.23 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 1pnm h PRO 131 CO 0.66 0.30 0.42 0.35 -0.21 0.00 0.00 178.00 179.52 1pnm h PHE 132 N 0.47 0.77 -0.66 0.65 3.57 -1.97 -2.23 116.94 117.54 1pnm h PHE 132 Ca 0.63 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 62.16 1pnm h PHE 132 Cb 1.42 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.90 1pnm h PHE 132 CO -0.00 0.32 0.41 -0.44 -2.23 0.00 0.00 178.31 176.36 1pnm h ASP 133 N 0.73 0.79 -0.39 0.41 3.32 -1.55 -1.73 116.42 117.99 1pnm h ASP 133 Ca 0.36 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 1pnm h ASP 133 Cb 0.32 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1pnm h ASP 133 CO -0.24 0.61 0.02 0.58 -1.72 0.00 0.00 179.24 178.49 1pnm h VAL 134 N 0.90 1.25 -0.33 -1.35 2.07 -1.37 -3.01 116.25 114.42 1pnm h VAL 134 Ca 0.24 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1pnm h VAL 134 Cb -0.04 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1pnm h VAL 134 CO -0.05 0.32 0.08 0.00 0.02 0.00 0.00 177.57 177.95 1pnm h ALA 135 N 0.89 0.44 -0.03 1.67 0.00 -1.36 -3.12 119.26 117.76 1pnm h ALA 135 Ca 0.11 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1pnm h ALA 135 Cb 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1pnm h ALA 135 CO 0.02 0.11 0.02 0.52 0.00 0.00 0.00 179.25 179.92 1pnm h MET 136 N 0.38 0.00 0.37 0.00 2.07 -1.28 -1.10 114.93 115.38 1pnm h MET 136 Ca 0.10 -0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.72 1pnm h MET 136 Cb 0.30 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.03 1pnm h MET 136 CO 0.00 0.00 -0.18 0.82 1.07 0.00 0.00 176.91 178.62 1pnm h ILE 137 N 0.00 0.64 0.01 -1.22 1.08 -1.46 0.32 117.51 116.89 1pnm h ILE 137 Ca 0.01 -0.05 -0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1pnm h ILE 137 Cb 0.06 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 34.47 1pnm h ILE 137 CO -0.00 0.01 -0.01 0.15 -0.69 0.00 0.00 178.15 177.61 1pnm h PHE 138 N -0.53 -0.01 0.05 1.37 3.57 -1.47 -2.99 116.94 116.93 1pnm h PHE 138 Ca -0.05 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.47 1pnm h PHE 138 Cb 0.40 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 1pnm h PHE 138 CO -0.04 0.25 -0.17 0.28 -2.23 0.00 0.00 178.31 176.40 1pnm h VAL 139 N -0.28 0.61 0.00 1.41 2.07 -1.11 -1.92 116.25 117.03 1pnm h VAL 139 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1pnm h VAL 139 Cb 0.27 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1pnm h VAL 139 CO 0.00 0.00 -0.18 1.23 0.02 0.00 0.00 177.57 178.64 1pnm h GLY 140 N -0.30 0.00 -0.12 2.17 0.00 -0.44 -2.22 103.07 102.16 1pnm h GLY 140 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1pnm h GLY 140 CO -0.12 0.00 -0.30 -1.30 0.00 0.00 0.00 176.54 174.82 1pnm n THR 141 N -3.99 0.00 0.01 4.70 -2.24 -1.13 -4.01 114.28 107.62 1pnm n THR 141 Ca -0.02 -0.35 -0.01 0.00 -2.27 0.00 0.00 64.05 61.40 1pnm n THR 141 Cb 0.26 1.03 -0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1pnm n THR 141 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1pnm n MET 142 N -0.89 0.02 -0.07 -0.78 0.00 -0.73 -4.34 117.12 110.34 1pnm n MET 142 Ca 0.02 0.01 -0.14 0.00 0.00 0.00 0.00 57.70 57.59 1pnm n MET 142 Cb 0.14 -0.54 -0.06 0.00 0.00 0.00 0.00 33.22 32.76 1pnm n MET 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1pnm h ALA 143 N -0.04 0.30 0.03 -5.12 0.00 -1.41 -2.36 119.26 110.66 1pnm h ALA 143 Ca -0.02 -0.40 -0.26 0.00 0.00 0.00 0.00 54.91 54.23 1pnm h ALA 143 Cb 0.65 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1pnm h ALA 143 CO -0.01 0.32 -1.39 -0.91 0.00 0.00 0.00 179.25 177.25 1pnm h ASN 144 N 0.22 0.10 0.00 0.00 2.35 -1.59 -2.39 115.58 114.26 1pnm h ASN 144 Ca 0.02 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1pnm h ASN 144 Cb 0.87 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.21 1pnm h ASN 144 CO 0.07 1.12 -0.02 -0.09 -1.65 0.00 0.00 177.43 176.85 1pnm h ARG 145 N 0.02 0.01 -0.32 0.81 2.43 -1.69 -3.38 114.38 112.26 1pnm h ARG 145 Ca -0.17 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1pnm h ARG 145 Cb 1.92 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.47 1pnm h ARG 145 CO 0.12 0.81 0.00 1.19 -1.51 0.00 0.00 179.97 180.58 1pnm n PHE 146 N -4.69 0.42 -1.47 2.20 3.72 -0.89 -4.68 117.46 112.08 1pnm n PHE 146 Ca -0.09 -0.45 0.00 0.00 -0.05 0.00 0.00 57.45 56.85 1pnm n PHE 146 Cb 0.40 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 1pnm n PHE 146 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1pnm n SER 147 N 0.54 0.00 -1.10 4.37 2.88 -0.93 -4.85 113.62 114.53 1pnm n SER 147 Ca 0.11 -1.36 -0.04 0.00 -1.33 0.00 0.00 58.87 56.25 1pnm n SER 147 Cb 0.41 -0.07 0.19 0.00 -0.75 0.00 0.00 64.21 63.99 1pnm n SER 147 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1pnm n ASP 148 N 0.00 2.51 -4.64 -3.46 2.03 -1.05 -4.94 116.55 107.00 1pnm n ASP 148 Ca 0.00 -3.83 -0.42 0.00 0.52 0.00 0.00 54.79 51.06 1pnm n ASP 148 Cb 0.57 -0.60 -0.04 0.00 -0.72 0.00 0.00 41.12 40.33 1pnm n ASP 148 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1pnm s SER 149 N -2.78 6.84 -0.01 1.67 0.01 -1.26 -5.05 113.70 113.12 1pnm s SER 149 Ca 0.44 1.03 -0.18 0.00 1.31 0.00 0.00 55.95 58.55 1pnm s SER 149 Cb 0.40 -2.44 0.03 0.00 0.21 0.00 0.00 66.02 64.22 1pnm s SER 149 CO -0.02 -0.53 0.39 0.42 0.41 0.00 0.00 173.24 173.90 1pnm s THR 150 N 2.88 0.05 -0.01 1.44 -4.23 -1.26 -5.05 115.64 109.46 1pnm s THR 150 Ca 0.35 -0.40 0.02 0.00 -1.18 0.00 0.00 61.69 60.48 1pnm s THR 150 Cb -0.15 -0.74 0.03 0.00 1.34 0.00 0.00 72.50 72.99 1pnm s THR 150 CO 0.08 -0.22 1.02 -1.54 -0.54 0.00 0.00 174.62 173.41 1pnm n SER 151 N 1.08 0.20 -0.30 3.99 3.41 -1.26 -4.96 113.62 115.78 1pnm n SER 151 Ca -0.21 -2.08 0.12 0.00 -0.26 0.00 0.00 58.87 56.44 1pnm n SER 151 Cb 0.57 -0.22 0.29 0.00 -0.26 0.00 0.00 64.21 64.58 1pnm n SER 151 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1pnm h GLU 152 N 0.03 0.40 -0.65 4.33 5.08 -1.99 0.12 114.58 121.91 1pnm h GLU 152 Ca -0.01 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1pnm h GLU 152 Cb 1.39 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 1pnm h GLU 152 CO 0.00 0.26 0.11 0.82 -1.00 0.00 0.00 179.01 179.21 1pnm h ILE 153 N 0.41 1.26 -0.39 3.13 2.04 -2.00 -2.08 117.51 119.89 1pnm h ILE 153 Ca 0.54 -1.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.31 1pnm h ILE 153 Cb 0.99 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1pnm h ILE 153 CO -0.51 0.38 -0.04 0.44 0.00 0.00 0.00 178.15 178.42 1pnm h ASP 154 N 0.98 0.71 -0.67 1.72 3.32 -1.56 -2.08 116.42 118.83 1pnm h ASP 154 Ca 0.20 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 56.94 1pnm h ASP 154 Cb 0.42 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 1pnm h ASP 154 CO 0.01 0.87 0.43 0.78 -1.72 0.00 0.00 179.24 179.61 1pnm h ASN 155 N 0.53 0.73 -0.52 6.45 2.35 -0.58 -1.33 115.58 123.20 1pnm h ASN 155 Ca 0.11 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1pnm h ASN 155 Cb 0.53 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 1pnm h ASN 155 CO 0.03 0.51 0.31 0.25 -1.65 0.00 0.00 177.43 176.88 1pnm h LEU 156 N 0.86 0.63 -0.34 1.61 5.85 -1.30 0.17 115.31 122.79 1pnm h LEU 156 Ca 0.26 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.94 1pnm h LEU 156 Cb -0.03 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1pnm h LEU 156 CO -0.08 0.50 0.18 0.00 -0.34 0.00 0.00 178.44 178.70 1pnm h ALA 157 N 1.15 0.42 0.27 1.25 0.00 -0.83 -0.83 119.26 120.68 1pnm h ALA 157 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1pnm h ALA 157 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1pnm h ALA 157 CO -0.03 -0.18 -0.20 1.25 0.00 0.00 0.00 179.25 180.08 1pnm h LEU 158 N 0.38 -0.52 -0.96 0.00 5.85 -0.90 -2.31 115.31 116.84 1pnm h LEU 158 Ca 0.14 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.99 1pnm h LEU 158 Cb 0.03 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 1pnm h LEU 158 CO -0.08 -0.31 0.61 0.25 -0.34 0.00 0.00 178.44 178.56 1pnm h LEU 159 N -0.48 0.92 -0.66 2.25 5.85 -0.81 -1.19 115.31 121.20 1pnm h LEU 159 Ca -0.02 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1pnm h LEU 159 Cb 0.42 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1pnm h LEU 159 CO -0.00 0.54 0.25 0.74 -0.34 0.00 0.00 178.44 179.63 1pnm h THR 160 N 1.03 1.24 -0.52 1.05 2.02 -0.93 -2.24 112.91 114.56 1pnm h THR 160 Ca 0.45 -0.78 -0.10 0.00 0.77 0.00 0.00 66.41 66.75 1pnm h THR 160 Cb 0.32 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1pnm h THR 160 CO -0.22 0.31 -0.08 0.00 0.37 0.00 0.00 175.52 175.90 1pnm h ALA 161 N 1.11 0.88 -0.09 6.16 0.00 -0.69 -2.58 119.26 124.05 1pnm h ALA 161 Ca 0.22 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1pnm h ALA 161 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1pnm h ALA 161 CO -0.02 0.65 -0.36 -0.07 0.00 0.00 0.00 179.25 179.45 1pnm h LEU 162 N 0.85 0.18 -0.35 0.00 3.38 -1.09 -2.26 115.31 116.02 1pnm h LEU 162 Ca 0.14 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1pnm h LEU 162 Cb 0.61 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1pnm h LEU 162 CO 0.04 0.53 -0.83 0.11 0.09 0.00 0.00 178.44 178.38 1pnm h LYS 163 N 0.15 0.06 0.00 1.13 1.57 -1.31 0.30 116.57 118.48 1pnm h LYS 163 Ca 0.02 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1pnm h LYS 163 Cb 0.72 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 1pnm h LYS 163 CO 0.05 0.86 -0.09 -0.44 -0.57 0.00 0.00 179.45 179.26 1pnm h ASP 164 N 0.04 0.00 0.00 0.86 5.19 -1.19 -0.81 116.42 120.50 1pnm h ASP 164 Ca -0.02 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.20 1pnm h ASP 164 Cb 1.46 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.94 1pnm h ASP 164 CO 0.11 0.09 -1.38 1.17 -3.12 0.00 0.00 179.24 176.11 1pnm n LYS 165 N -3.15 0.54 -0.15 3.56 4.81 -0.87 -4.66 118.16 118.23 1pnm n LYS 165 Ca 0.02 0.39 0.11 0.00 -0.87 0.00 0.00 58.31 57.96 1pnm n LYS 165 Cb 0.48 -1.59 0.18 0.00 0.02 0.00 0.00 35.03 34.13 1pnm n LYS 165 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1pnm n TYR 166 N -4.43 0.39 0.00 5.64 4.01 0.09 -5.07 117.16 117.79 1pnm n TYR 166 Ca -0.28 -0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.25 1pnm n TYR 166 Cb 0.60 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 1pnm n TYR 166 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pnm n GLY 167 N 1.40 -1.53 0.44 2.72 0.00 -0.31 -4.15 105.19 103.76 1pnm n GLY 167 Ca 0.17 -1.56 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 1pnm n GLY 167 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pnm h VAL 168 N 0.00 0.08 -0.17 1.61 2.07 -1.90 0.13 116.25 118.07 1pnm h VAL 168 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1pnm h VAL 168 Cb 0.00 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1pnm h VAL 168 CO 0.00 0.00 -0.45 0.28 0.02 0.00 0.00 177.57 177.42 1pnm h SER 169 N -0.62 0.46 0.11 0.57 0.02 -1.94 -3.09 113.55 109.06 1pnm h SER 169 Ca 0.04 -0.21 -0.26 0.00 -0.84 0.00 0.00 61.79 60.51 1pnm h SER 169 Cb 0.69 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 63.11 1pnm h SER 169 CO -0.34 0.85 -1.03 -0.61 -1.14 0.00 0.00 176.83 174.56 1pnm h GLN 170 N 0.35 0.61 -0.62 3.45 5.75 -1.71 -2.50 115.11 120.44 1pnm h GLN 170 Ca 0.02 -0.67 0.03 0.00 -0.15 0.00 0.00 58.65 57.88 1pnm h GLN 170 Cb 0.94 0.19 -0.04 0.00 1.07 0.00 0.00 27.48 29.64 1pnm h GLN 170 CO 0.08 1.27 0.37 0.78 -2.65 0.00 0.00 178.83 178.68 1pnm h GLY 171 N 0.65 0.89 0.95 2.39 0.00 -0.79 -1.40 103.07 105.76 1pnm h GLY 171 Ca -0.12 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1pnm h GLY 171 CO 0.20 0.22 0.03 1.98 0.00 0.00 0.00 176.54 178.97 1pnm h MET 172 N 0.73 0.71 -0.16 4.80 1.85 -1.55 -2.21 114.93 119.10 1pnm h MET 172 Ca 0.25 -0.21 -0.11 0.00 -0.61 0.00 0.00 59.70 59.02 1pnm h MET 172 Cb 0.05 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 31.99 1pnm h MET 172 CO -0.12 0.77 -0.38 0.00 -0.40 0.00 0.00 176.91 176.78 1pnm h ALA 173 N 0.91 1.06 -0.35 0.39 0.00 -1.02 -1.94 119.26 118.30 1pnm h ALA 173 Ca 0.12 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1pnm h ALA 173 Cb 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1pnm h ALA 173 CO 0.02 0.59 -0.25 0.28 0.00 0.00 0.00 179.25 179.89 1pnm h VAL 174 N 0.29 1.29 -0.42 0.00 2.07 -1.25 -2.80 116.25 115.42 1pnm h VAL 174 Ca 0.03 -1.40 0.08 0.00 0.82 0.00 0.00 66.70 66.24 1pnm h VAL 174 Cb 0.80 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.91 1pnm h VAL 174 CO 0.06 0.46 -0.04 0.15 0.02 0.00 0.00 177.57 178.23 1pnm h PHE 175 N 0.57 -0.10 0.00 1.57 3.57 -1.12 0.24 116.94 121.67 1pnm h PHE 175 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1pnm h PHE 175 Cb 0.81 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.66 1pnm h PHE 175 CO 0.06 -0.12 0.00 -0.91 -2.23 0.00 0.00 178.31 175.11 1pnm h ASN 176 N 0.07 0.00 0.58 0.41 2.35 -1.19 -0.25 115.58 117.55 1pnm h ASN 176 Ca 0.21 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.68 1pnm h ASN 176 Cb 0.31 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.64 1pnm h ASN 176 CO -0.38 0.00 -1.57 -0.61 -1.65 0.00 0.00 177.43 173.22 1pnm h GLN 177 N 0.00 0.02 0.09 0.81 4.15 -0.33 -3.24 115.11 116.60 1pnm h GLN 177 Ca 0.00 -0.03 -0.34 0.00 0.77 0.00 0.00 58.65 59.05 1pnm h GLN 177 Cb 0.29 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 1pnm h GLN 177 CO 0.00 0.64 -1.90 1.28 -1.93 0.00 0.00 178.83 176.92 1pnm n LEU 178 N -3.13 2.06 -3.24 -2.39 4.77 -0.47 -4.63 117.00 109.98 1pnm n LEU 178 Ca -0.14 0.28 -0.25 0.00 -0.03 0.00 0.00 56.01 55.87 1pnm n LEU 178 Cb 1.03 -0.70 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1pnm n LEU 178 CO 0.45 0.70 -0.22 1.17 -1.33 0.00 0.00 177.39 178.17 1pnm n LYS 179 N -3.34 1.11 -1.14 3.23 3.00 -0.16 -5.11 118.16 115.75 1pnm n LYS 179 Ca -0.27 -3.54 -0.32 0.00 -0.00 0.00 0.00 58.31 54.19 1pnm n LYS 179 Cb 1.05 -1.44 0.11 0.00 0.00 0.00 0.00 35.03 34.75 1pnm n LYS 179 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.40 179.07 1pnm s TRP 180 N -1.47 2.17 -0.08 5.64 -2.14 -1.22 -4.51 118.94 117.33 1pnm s TRP 180 Ca 0.36 1.65 -0.25 0.00 2.66 0.00 0.00 56.10 60.51 1pnm s TRP 180 Cb 0.17 -3.22 -0.27 0.00 -3.10 0.00 0.00 33.47 27.05 1pnm s TRP 180 CO -0.09 -2.25 0.89 1.25 -2.66 0.00 0.00 176.95 174.09 1pnm h LEU 181 N -1.15 0.22 -7.95 -4.66 5.85 -1.96 -3.47 115.31 102.19 1pnm h LEU 181 Ca -0.44 -0.91 -0.13 0.00 0.84 0.00 0.00 57.88 57.23 1pnm h LEU 181 Cb 1.25 -0.07 -0.18 0.00 0.37 0.00 0.00 40.66 42.03 1pnm h LEU 181 CO 0.48 1.11 -0.58 0.68 -0.34 0.00 0.00 178.44 179.80 1pnm s VAL 182 N -2.57 0.14 -0.15 1.05 -7.23 -1.26 -5.14 120.40 105.23 1pnm s VAL 182 Ca -0.16 -1.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.84 1pnm s VAL 182 Cb -0.01 -0.82 0.06 0.00 0.56 0.00 0.00 36.38 36.17 1pnm s VAL 182 CO 0.75 -0.62 0.09 0.21 -0.31 0.00 0.00 175.10 175.22 1pnm s ASN 183 N -2.05 2.11 0.07 4.85 3.84 -1.26 -5.05 114.94 117.45 1pnm s ASN 183 Ca -0.06 -0.49 0.16 0.00 0.21 0.00 0.00 52.86 52.68 1pnm s ASN 183 Cb -0.02 -0.19 0.69 0.00 -0.55 0.00 0.00 41.25 41.17 1pnm s ASN 183 CO -0.04 -0.33 1.50 -0.81 -2.79 0.00 0.00 177.10 174.63 1pnm n PRO 184 N 5.29 0.05 0.00 0.43 -0.04 -1.26 -2.05 135.00 137.41 1pnm n PRO 184 Ca -0.06 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.83 1pnm n PRO 184 Cb 0.49 -1.60 0.24 0.00 -0.04 0.00 0.00 33.50 32.59 1pnm n PRO 184 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1pnm n SER 185 N -1.70 0.83 -4.69 3.54 3.41 -1.26 -4.95 113.62 108.81 1pnm n SER 185 Ca 0.03 -0.63 -0.45 0.00 -0.26 0.00 0.00 58.87 57.56 1pnm n SER 185 Cb 0.17 0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 64.39 1pnm n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pnm n ALA 186 N -1.11 1.83 -1.78 7.33 0.00 -0.87 -4.92 120.51 120.99 1pnm n ALA 186 Ca 0.08 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.50 1pnm n ALA 186 Cb 0.35 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.33 1pnm n ALA 186 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1pnm s PRO 187 N 1.48 4.15 0.12 0.00 0.02 -1.26 -5.00 135.00 134.52 1pnm s PRO 187 Ca 0.79 2.52 0.07 0.00 0.02 0.00 0.00 61.00 64.41 1pnm s PRO 187 Cb -0.61 -3.40 -0.04 0.00 0.02 0.00 0.00 34.50 30.47 1pnm s PRO 187 CO 0.37 -0.77 -0.08 0.95 -0.33 0.00 0.00 177.00 177.15 1pnm s THR 188 N 2.11 3.45 0.11 0.99 -4.23 -1.26 -5.06 115.64 111.74 1pnm s THR 188 Ca 0.77 -1.31 -0.14 0.00 -1.18 0.00 0.00 61.69 59.82 1pnm s THR 188 Cb -0.46 -2.64 -0.06 0.00 1.34 0.00 0.00 72.50 70.68 1pnm s THR 188 CO 0.34 0.06 1.47 0.74 -0.54 0.00 0.00 174.62 176.68 1pnm h THR 189 N 3.06 1.29 -3.58 3.99 2.02 -2.02 -3.42 112.91 114.25 1pnm h THR 189 Ca -0.48 -1.35 -0.61 0.00 0.77 0.00 0.00 66.41 64.74 1pnm h THR 189 Cb 1.18 1.43 -0.13 0.00 -1.74 0.00 0.00 68.15 68.88 1pnm h THR 189 CO 0.54 0.44 -0.26 -0.63 0.37 0.00 0.00 175.52 175.98 1pnm s ILE 190 N -4.54 5.22 0.74 3.11 1.01 -1.26 -5.08 121.20 120.40 1pnm s ILE 190 Ca -0.12 0.57 -0.15 0.00 0.00 0.00 0.00 60.65 60.95 1pnm s ILE 190 Cb 0.09 -3.68 0.04 0.00 0.01 0.00 0.00 42.46 38.93 1pnm s ILE 190 CO 0.83 0.23 1.24 0.00 0.00 0.00 0.00 174.94 177.24 1pnm s ALA 191 N 1.55 2.06 0.42 9.38 0.00 -1.26 -4.83 121.76 129.08 1pnm s ALA 191 Ca 0.16 0.99 0.13 0.00 0.00 0.00 0.00 51.96 53.24 1pnm s ALA 191 Cb -0.15 -3.51 0.90 0.00 0.00 0.00 0.00 23.12 20.36 1pnm s ALA 191 CO 0.08 -2.00 1.94 -0.39 0.00 0.00 0.00 175.76 175.39 1pnm h VAL 192 N -0.31 1.17 -0.26 0.00 -1.51 -1.97 -2.67 116.25 110.71 1pnm h VAL 192 Ca -0.48 -0.82 -0.02 0.00 -1.23 0.00 0.00 66.70 64.15 1pnm h VAL 192 Cb 1.31 1.42 -0.01 0.00 -2.13 0.00 0.00 31.29 31.88 1pnm h VAL 192 CO 0.49 0.24 0.06 1.56 -1.23 0.00 0.00 177.57 178.69 1pnm h GLN 193 N 0.02 0.36 0.28 5.19 7.50 -2.06 -2.92 115.11 123.50 1pnm h GLN 193 Ca 0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.09 1pnm h GLN 193 Cb 0.42 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.88 1pnm h GLN 193 CO 0.03 0.34 -0.13 0.93 -1.50 0.00 0.00 178.83 178.50 1pnm h GLU 194 N 0.36 -0.36 0.00 1.46 4.39 -1.85 -3.56 114.58 115.02 1pnm h GLU 194 Ca 0.09 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1pnm h GLU 194 Cb 0.14 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1pnm h GLU 194 CO -0.00 -0.16 0.00 -1.13 -1.16 0.00 0.00 179.01 176.56