#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2npk s VAL 4 N 0.00 3.16 0.21 0.00 0.11 -1.26 -4.73 120.40 117.90 2npk s VAL 4 Ca 0.00 -0.92 -0.30 0.00 -2.93 0.00 0.00 61.98 57.83 2npk s VAL 4 Cb 0.00 -2.33 -0.08 0.00 -1.53 0.00 0.00 36.38 32.44 2npk s VAL 4 CO 0.00 0.42 0.99 0.00 -3.33 0.00 0.00 175.10 173.18 2npk s ALA 5 N -0.90 3.33 -0.29 1.54 0.00 -1.26 -4.73 121.76 119.44 2npk s ALA 5 Ca 0.15 0.68 -0.12 0.00 0.00 0.00 0.00 51.96 52.66 2npk s ALA 5 Cb -0.11 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2npk s ALA 5 CO 0.05 0.05 0.24 0.34 0.00 0.00 0.00 175.76 176.44 2npk s ASP 6 N -0.74 6.08 0.48 0.00 -1.08 0.16 -4.98 116.67 116.59 2npk s ASP 6 Ca 0.44 -0.06 0.15 0.00 -0.52 0.00 0.00 52.55 52.56 2npk s ASP 6 Cb -0.27 -2.14 1.15 0.00 -1.46 0.00 0.00 42.92 40.20 2npk s ASP 6 CO 0.33 -0.13 2.06 0.11 0.52 0.00 0.00 175.17 178.07 2npk h LYS 7 N 8.37 0.20 -0.51 4.34 1.57 -1.96 -0.43 116.57 128.16 2npk h LYS 7 Ca -0.33 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.37 2npk h LYS 7 Cb 1.18 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 2npk h LYS 7 CO 0.59 0.13 0.07 0.00 -0.57 0.00 0.00 179.45 179.68 2npk h ALA 8 N 1.83 0.68 -0.36 3.86 0.00 -1.95 0.01 119.26 123.33 2npk h ALA 8 Ca 0.14 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 2npk h ALA 8 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2npk h ALA 8 CO -0.02 0.42 -0.36 -0.44 0.00 0.00 0.00 179.25 178.84 2npk h ASP 9 N 0.73 0.90 -0.11 0.00 3.32 -1.59 -1.57 116.42 118.10 2npk h ASP 9 Ca 0.15 -0.40 0.02 0.00 0.02 0.00 0.00 57.03 56.83 2npk h ASP 9 Cb 0.41 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2npk h ASP 9 CO 0.01 1.16 -0.04 0.78 -1.72 0.00 0.00 179.24 179.44 2npk h ASN 10 N 0.70 -0.13 0.03 6.45 2.35 -0.82 0.50 115.58 124.65 2npk h ASN 10 Ca 0.06 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 2npk h ASN 10 Cb 0.93 0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.35 2npk h ASN 10 CO 0.09 -0.05 -0.17 0.00 -1.65 0.00 0.00 177.43 175.64 2npk h ALA 11 N 1.08 -0.24 -0.42 -0.83 0.00 -0.88 -1.27 119.26 116.70 2npk h ALA 11 Ca 0.06 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2npk h ALA 11 Cb 0.10 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2npk h ALA 11 CO -0.12 -0.68 0.16 0.35 0.00 0.00 0.00 179.25 178.96 2npk h PHE 12 N -0.30 0.29 -0.15 0.00 3.57 -1.03 -1.15 116.94 118.17 2npk h PHE 12 Ca 0.04 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.43 2npk h PHE 12 Cb 0.36 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2npk h PHE 12 CO -0.21 0.12 -0.48 0.52 -2.23 0.00 0.00 178.31 176.03 2npk h MET 13 N 0.34 0.37 -0.24 1.11 2.86 -0.74 0.80 114.93 119.43 2npk h MET 13 Ca 0.19 -0.21 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 2npk h MET 13 Cb 0.16 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2npk h MET 13 CO -0.18 0.77 -0.29 0.52 1.06 0.00 0.00 176.91 178.79 2npk h MET 14 N 0.30 0.63 -0.64 1.72 2.86 -1.07 -1.23 114.93 117.50 2npk h MET 14 Ca 0.02 -0.35 -0.05 0.00 -2.06 0.00 0.00 59.70 57.26 2npk h MET 14 Cb 0.95 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 2npk h MET 14 CO 0.08 0.95 0.21 0.82 1.06 0.00 0.00 176.91 180.03 2npk h ILE 15 N 0.34 1.25 -0.19 -1.22 1.08 -1.03 -1.89 117.51 115.85 2npk h ILE 15 Ca 0.03 -0.84 -0.03 0.00 -0.39 0.00 0.00 64.86 63.63 2npk h ILE 15 Cb 0.86 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 2npk h ILE 15 CO 0.07 0.32 -0.04 0.00 -0.69 0.00 0.00 178.15 177.81 2npk h THR 17 N 0.27 1.31 -0.94 0.00 2.02 -0.70 -1.07 112.91 113.79 2npk h THR 17 Ca 0.06 -1.22 0.04 0.00 0.77 0.00 0.00 66.41 66.06 2npk h THR 17 Cb 0.25 1.61 -0.06 0.00 -1.74 0.00 0.00 68.15 68.21 2npk h THR 17 CO 0.01 0.38 0.61 0.00 0.37 0.00 0.00 175.52 176.89 2npk h ALA 18 N 0.71 1.25 -0.61 6.16 0.00 -0.92 -0.14 119.26 125.70 2npk h ALA 18 Ca 0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2npk h ALA 18 Cb 0.64 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2npk h ALA 18 CO 0.04 0.47 0.14 -0.07 0.00 0.00 0.00 179.25 179.83 2npk h LEU 19 N 1.17 0.90 -0.35 0.00 3.38 -1.08 -1.03 115.31 118.31 2npk h LEU 19 Ca 0.38 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 2npk h LEU 19 Cb 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2npk h LEU 19 CO -0.13 0.88 -0.32 0.58 0.09 0.00 0.00 178.44 179.55 2npk h VAL 20 N 0.92 1.28 -1.01 1.22 2.07 -0.30 -2.78 116.25 117.65 2npk h VAL 20 Ca 0.20 -1.48 0.03 0.00 0.82 0.00 0.00 66.70 66.26 2npk h VAL 20 Cb 0.34 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 2npk h VAL 20 CO 0.00 0.49 0.66 -0.07 0.02 0.00 0.00 177.57 178.67 2npk h LEU 21 N 0.62 1.12 -1.76 2.57 3.38 -0.87 -1.54 115.31 118.82 2npk h LEU 21 Ca 0.06 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.12 2npk h LEU 21 Cb 0.90 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2npk h LEU 21 CO 0.08 0.78 0.37 0.15 0.09 0.00 0.00 178.44 179.91 2npk h PHE 22 N 1.31 0.28 -0.36 1.13 3.57 -1.00 0.38 116.94 122.25 2npk h PHE 22 Ca 0.39 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.87 2npk h PHE 22 Cb -0.06 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 2npk h PHE 22 CO -0.00 0.13 0.12 0.52 -2.23 0.00 0.00 178.31 176.85 2npk h MET 23 N 0.26 0.52 0.00 1.11 2.86 -1.01 -2.16 114.93 116.52 2npk h MET 23 Ca 0.25 -0.07 -0.14 0.00 -2.06 0.00 0.00 59.70 57.68 2npk h MET 23 Cb 0.64 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2npk h MET 23 CO -0.05 0.46 -0.93 1.15 1.06 0.00 0.00 176.91 178.59 2npk h THR 24 N 0.51 0.58 -3.42 2.22 2.02 -1.30 0.37 112.91 113.90 2npk h THR 24 Ca 0.12 -1.73 -0.72 0.00 0.77 0.00 0.00 66.41 64.86 2npk h THR 24 Cb 0.15 1.39 -0.31 0.00 -1.74 0.00 0.00 68.15 67.64 2npk h THR 24 CO -0.01 0.20 -0.39 -0.63 0.37 0.00 0.00 175.52 175.05 2npk s ILE 25 N -2.30 3.99 -1.43 3.11 -1.09 0.01 -3.10 121.20 120.40 2npk s ILE 25 Ca -0.23 -2.10 0.13 0.00 -2.23 0.00 0.00 60.65 56.23 2npk s ILE 25 Cb 0.04 -3.63 0.24 0.00 -1.58 0.00 0.00 42.46 37.53 2npk s ILE 25 CO 0.45 -0.79 1.12 -0.81 -1.23 0.00 0.00 174.94 173.68 2npk n PRO 26 N 4.53 1.87 0.00 2.79 -0.04 -1.15 -4.06 135.00 138.94 2npk n PRO 26 Ca -0.02 -1.75 0.00 0.00 -0.04 0.00 0.00 63.50 61.69 2npk n PRO 26 Cb 0.41 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2npk n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2npk n GLY 27 N 0.76 -2.44 0.22 0.55 0.00 -0.82 -0.84 105.19 102.62 2npk n GLY 27 Ca 0.11 0.49 0.04 0.00 0.00 0.00 0.00 46.02 46.66 2npk n GLY 27 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2npk h ILE 28 N 0.00 1.16 -0.51 -0.61 6.09 -0.31 -1.80 117.51 121.53 2npk h ILE 28 Ca 0.00 -0.76 -0.11 0.00 -1.37 0.00 0.00 64.86 62.61 2npk h ILE 28 Cb 0.00 1.35 -0.02 0.00 0.47 0.00 0.00 36.82 38.62 2npk h ILE 28 CO 0.00 0.22 -0.13 0.00 -3.07 0.00 0.00 178.15 175.18 2npk h ALA 29 N 1.74 0.81 -0.13 0.18 0.00 -1.43 -1.88 119.26 118.54 2npk h ALA 29 Ca 0.01 -0.35 -0.21 0.00 0.00 0.00 0.00 54.91 54.36 2npk h ALA 29 Cb 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2npk h ALA 29 CO 0.03 0.66 -0.75 -0.07 0.00 0.00 0.00 179.25 179.12 2npk h LEU 30 N 0.86 0.75 0.30 0.00 3.38 -0.59 0.62 115.31 120.64 2npk h LEU 30 Ca 0.13 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2npk h LEU 30 Cb 0.68 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2npk h LEU 30 CO 0.05 1.26 -0.33 0.15 0.09 0.00 0.00 178.44 179.67 2npk h PHE 31 N 0.44 -0.88 -0.46 1.13 3.57 -1.19 -2.45 116.94 117.09 2npk h PHE 31 Ca -0.04 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.36 2npk h PHE 31 Cb 1.35 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 40.43 2npk h PHE 31 CO 0.07 -0.46 -0.14 1.88 -2.23 0.00 0.00 178.31 177.43 2npk h TYR 32 N -0.67 0.95 -0.60 0.41 0.05 -1.39 -3.01 116.97 112.71 2npk h TYR 32 Ca -0.01 -0.19 0.14 0.00 0.05 0.00 0.00 58.73 58.72 2npk h TYR 32 Cb 0.62 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 38.09 2npk h TYR 32 CO -0.21 0.93 0.41 0.78 -1.05 0.00 0.00 178.16 179.03 2npk h GLY 33 N 0.96 0.28 1.48 3.88 0.00 -0.60 -0.52 103.07 108.56 2npk h GLY 33 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2npk h GLY 33 CO 0.05 0.03 -0.42 -1.33 0.00 0.00 0.00 176.54 174.87 2npk h GLY 34 N 0.17 0.00 0.86 4.60 0.00 -1.31 -3.36 103.07 104.04 2npk h GLY 34 Ca 0.29 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.43 2npk h GLY 34 CO -0.05 0.00 -1.53 1.04 0.00 0.00 0.00 176.54 176.00 2npk n LEU 35 N -2.35 0.75 -4.96 3.11 4.77 -0.25 -2.58 117.00 115.49 2npk n LEU 35 Ca 0.04 0.33 -0.22 0.00 -0.03 0.00 0.00 56.01 56.13 2npk n LEU 35 Cb 0.46 0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.67 2npk n LEU 35 CO 0.35 0.18 0.25 0.27 -1.33 0.00 0.00 177.39 177.10 2npk s ILE 36 N -2.91 3.83 0.33 -0.08 -4.36 -0.89 -4.50 121.20 112.62 2npk s ILE 36 Ca -0.04 -0.61 -0.29 0.00 -0.26 0.00 0.00 60.65 59.45 2npk s ILE 36 Cb 0.09 -3.40 -0.11 0.00 1.25 0.00 0.00 42.46 40.28 2npk s ILE 36 CO 0.82 -0.26 1.56 -1.14 0.24 0.00 0.00 174.94 176.16 2npk n ARG 37 N -2.03 2.71 -0.30 0.37 3.00 -1.26 -4.57 116.66 114.58 2npk n ARG 37 Ca 0.02 0.96 0.13 0.00 -0.00 0.00 0.00 57.85 58.96 2npk n ARG 37 Cb 0.58 -2.72 0.29 0.00 0.00 0.00 0.00 32.46 30.61 2npk n ARG 37 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2npk h GLY 38 N 4.09 1.39 2.00 5.14 0.00 -1.96 0.14 103.07 113.86 2npk h GLY 38 Ca -0.48 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.79 2npk h GLY 38 CO 0.73 -0.35 0.00 0.07 0.00 0.00 0.00 176.54 176.99 2npk h LYS 39 N 0.24 0.00 -0.01 4.80 2.10 -2.01 -2.45 116.57 119.24 2npk h LYS 39 Ca 0.55 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.20 2npk h LYS 39 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 2npk h LYS 39 CO -0.63 0.00 -0.54 0.09 -2.00 0.00 0.00 179.45 176.37 2npk n ASN 40 N -2.69 1.41 0.08 7.07 3.02 0.03 -4.70 115.26 119.49 2npk n ASN 40 Ca -0.02 -1.21 -0.13 0.00 -0.03 0.00 0.00 54.58 53.20 2npk n ASN 40 Cb 0.09 0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 39.85 2npk n ASN 40 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2npk h VAL 41 N 1.27 0.92 -0.60 2.41 2.07 -1.35 -2.14 116.25 118.82 2npk h VAL 41 Ca 0.00 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2npk h VAL 41 Cb 0.54 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 2npk h VAL 41 CO 0.00 0.00 0.34 -0.07 0.02 0.00 0.00 177.57 177.86 2npk h LEU 42 N -0.11 0.52 -0.58 2.57 3.38 -1.84 -0.35 115.31 118.90 2npk h LEU 42 Ca -0.01 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2npk h LEU 42 Cb 0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2npk h LEU 42 CO 0.02 0.35 0.03 -1.28 0.09 0.00 0.00 178.44 177.65 2npk h SER 43 N 0.65 0.97 -0.54 -0.43 0.87 -1.86 -1.72 113.55 111.49 2npk h SER 43 Ca 0.26 -0.29 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 2npk h SER 43 Cb 0.12 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 2npk h SER 43 CO -0.15 1.02 0.13 -0.03 -0.53 0.00 0.00 176.83 177.27 2npk h MET 44 N 0.88 0.86 -0.65 2.24 1.85 -0.93 -1.09 114.93 118.11 2npk h MET 44 Ca 0.17 -0.21 -0.04 0.00 -0.61 0.00 0.00 59.70 59.01 2npk h MET 44 Cb 0.50 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 32.39 2npk h MET 44 CO 0.02 0.82 0.25 -0.07 -0.40 0.00 0.00 176.91 177.53 2npk h LEU 45 N 0.76 0.87 -0.19 3.39 3.38 -0.83 -0.82 115.31 121.87 2npk h LEU 45 Ca 0.17 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2npk h LEU 45 Cb 0.34 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2npk h LEU 45 CO 0.00 0.78 0.03 0.74 0.09 0.00 0.00 178.44 180.08 2npk h THR 46 N 0.93 1.23 -0.76 0.22 2.02 -1.03 -1.71 112.91 113.80 2npk h THR 46 Ca 0.22 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 2npk h THR 46 Cb 0.19 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 2npk h THR 46 CO -0.02 0.23 0.38 1.56 0.37 0.00 0.00 175.52 178.04 2npk h GLN 47 N 0.11 1.09 -0.62 6.66 4.20 -0.90 -0.80 115.11 124.85 2npk h GLN 47 Ca 0.06 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.52 2npk h GLN 47 Cb 0.32 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2npk h GLN 47 CO 0.00 0.84 0.01 0.28 -0.67 0.00 0.00 178.83 179.29 2npk h VAL 48 N 1.07 1.27 -0.30 -0.54 2.07 -1.07 -1.10 116.25 117.65 2npk h VAL 48 Ca 0.26 -1.15 -0.07 0.00 0.82 0.00 0.00 66.70 66.56 2npk h VAL 48 Cb 0.10 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2npk h VAL 48 CO -0.04 0.42 -0.09 0.74 0.02 0.00 0.00 177.57 178.63 2npk h THR 49 N 0.99 1.28 -0.22 2.57 2.02 -1.02 -1.19 112.91 117.35 2npk h THR 49 Ca 0.18 -1.13 -0.12 0.00 0.77 0.00 0.00 66.41 66.10 2npk h THR 49 Cb 0.56 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2npk h THR 49 CO 0.03 0.36 -0.35 0.58 0.37 0.00 0.00 175.52 176.52 2npk h VAL 50 N 0.35 1.32 -0.17 3.16 2.07 -1.14 -2.05 116.25 119.78 2npk h VAL 50 Ca 0.07 -1.55 -0.10 0.00 0.82 0.00 0.00 66.70 65.94 2npk h VAL 50 Cb 0.58 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2npk h VAL 50 CO 0.03 0.48 -0.32 0.71 0.02 0.00 0.00 177.57 178.50 2npk h THR 51 N 0.32 1.28 -0.28 2.57 1.35 -1.25 0.28 112.91 117.18 2npk h THR 51 Ca 0.02 -1.35 -0.00 0.00 -0.55 0.00 0.00 66.41 64.53 2npk h THR 51 Cb 0.93 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 2npk h THR 51 CO 0.08 0.41 0.16 0.15 -0.25 0.00 0.00 175.52 176.07 2npk h PHE 52 N 0.30 0.38 -0.47 4.73 3.57 -1.11 -0.11 116.94 124.23 2npk h PHE 52 Ca 0.04 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2npk h PHE 52 Cb 0.72 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 2npk h PHE 52 CO 0.02 0.31 0.27 0.00 -2.23 0.00 0.00 178.31 176.68 2npk h ALA 53 N 1.04 0.61 -0.45 2.41 0.00 -0.93 -1.42 119.26 120.51 2npk h ALA 53 Ca 0.10 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2npk h ALA 53 Cb 0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 2npk h ALA 53 CO -0.02 0.11 0.18 1.25 0.00 0.00 0.00 179.25 180.78 2npk h LEU 54 N 0.63 0.22 -0.47 0.00 5.85 -0.58 -2.03 115.31 118.93 2npk h LEU 54 Ca 0.17 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 2npk h LEU 54 Cb 0.02 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2npk h LEU 54 CO -0.03 0.16 0.25 0.58 -0.34 0.00 0.00 178.44 179.06 2npk h VAL 55 N 0.37 1.17 -0.57 1.05 2.07 -0.70 -0.75 116.25 118.89 2npk h VAL 55 Ca 0.21 -0.44 0.09 0.00 0.82 0.00 0.00 66.70 67.38 2npk h VAL 55 Cb 0.18 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 2npk h VAL 55 CO -0.19 0.18 0.19 0.00 0.02 0.00 0.00 177.57 177.76 2npk h ILE 57 N 0.35 1.38 -0.43 0.00 1.08 -1.12 -2.94 117.51 115.83 2npk h ILE 57 Ca 0.29 -1.30 -0.01 0.00 -0.39 0.00 0.00 64.86 63.45 2npk h ILE 57 Cb 0.36 2.05 -0.02 0.00 -3.07 0.00 0.00 36.82 36.14 2npk h ILE 57 CO -0.31 0.37 0.25 -0.07 -0.69 0.00 0.00 178.15 177.69 2npk h LEU 58 N -0.22 0.51 -0.01 1.44 3.38 -1.00 -1.29 115.31 118.12 2npk h LEU 58 Ca 0.01 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2npk h LEU 58 Cb 0.64 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2npk h LEU 58 CO 0.02 0.41 0.01 -0.25 0.09 0.00 0.00 178.44 178.72 2npk h TRP 59 N 0.59 0.02 -0.23 1.13 2.91 -1.12 0.60 115.95 119.85 2npk h TRP 59 Ca 0.15 0.00 -0.19 0.00 1.13 0.00 0.00 58.89 59.98 2npk h TRP 59 Cb -0.00 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 28.65 2npk h TRP 59 CO 0.00 0.04 -0.61 0.28 -1.03 0.00 0.00 178.44 177.13 2npk h VAL 60 N -0.02 1.29 0.21 2.65 2.07 -1.33 0.41 116.25 121.52 2npk h VAL 60 Ca 0.00 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.70 2npk h VAL 60 Cb 0.03 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2npk h VAL 60 CO -0.00 0.58 -0.10 0.58 0.02 0.00 0.00 177.57 178.65 2npk h VAL 61 N 0.58 0.82 0.00 2.57 2.07 -1.15 -2.16 116.25 118.98 2npk h VAL 61 Ca -0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2npk h VAL 61 Cb 1.21 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2npk h VAL 61 CO 0.13 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.75 2npk n TYR 62 N -5.18 0.00 0.10 1.57 0.18 -0.38 -1.48 117.16 111.96 2npk n TYR 62 Ca -0.09 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.57 2npk n TYR 62 Cb 0.15 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.06 2npk n TYR 62 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 2npk h GLY 63 N 0.00 -0.34 0.75 -7.48 0.00 -0.46 -1.17 103.07 94.38 2npk h GLY 63 Ca 0.00 0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.59 2npk h GLY 63 CO 0.00 -0.18 0.15 -1.82 0.00 0.00 0.00 176.54 174.69 2npk h TYR 64 N -0.36 0.28 -0.85 5.60 3.20 -1.19 0.33 116.97 123.98 2npk h TYR 64 Ca 0.03 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.94 2npk h TYR 64 Cb 0.39 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 2npk h TYR 64 CO -0.20 0.13 0.55 1.03 -1.64 0.00 0.00 178.16 178.04 2npk h SER 65 N 0.33 0.93 1.56 -2.11 0.87 -1.74 0.25 113.55 113.64 2npk h SER 65 Ca 0.16 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.62 2npk h SER 65 Cb 0.11 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2npk h SER 65 CO -0.14 0.65 -0.44 -0.07 -0.53 0.00 0.00 176.83 176.30 2npk h LEU 66 N 1.09 0.00 0.09 2.23 3.38 -0.85 -0.26 115.31 121.00 2npk h LEU 66 Ca 0.33 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.03 2npk h LEU 66 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2npk h LEU 66 CO -0.10 0.44 -1.44 0.00 0.09 0.00 0.00 178.44 177.43 2npk h ALA 67 N 1.56 0.23 -0.01 1.53 0.00 -0.71 0.77 119.26 122.64 2npk h ALA 67 Ca -0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.76 2npk h ALA 67 Cb 1.33 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2npk h ALA 67 CO 0.06 0.86 -0.39 1.19 0.00 0.00 0.00 179.25 180.96 2npk n PHE 68 N -3.97 0.00 -1.62 0.00 3.72 0.86 -3.80 117.46 112.65 2npk n PHE 68 Ca -0.27 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.83 2npk n PHE 68 Cb 0.87 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.50 2npk n PHE 68 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2npk s GLY 69 N -1.89 1.62 -0.10 1.37 0.00 -0.15 -4.99 107.32 103.18 2npk s GLY 69 Ca 0.10 -0.28 -0.25 0.00 0.00 0.00 0.00 44.72 44.30 2npk s GLY 69 CO 0.41 0.15 0.77 1.85 0.00 0.00 0.00 173.10 176.29 2npk s GLU 70 N -5.22 4.39 0.00 2.90 2.12 -1.26 -4.22 118.70 117.41 2npk s GLU 70 Ca 0.61 0.96 0.00 0.00 0.36 0.00 0.00 54.97 56.90 2npk s GLU 70 Cb -0.14 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.75 2npk s GLU 70 CO 0.53 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 2npk n GLY 71 N 3.25 1.96 0.00 -1.50 0.00 -1.25 -4.19 105.19 103.46 2npk n GLY 71 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2npk n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2npk n ASN 72 N 0.00 1.11 0.27 1.61 0.23 -0.29 -5.00 115.26 113.18 2npk n ASN 72 Ca 0.00 -0.21 0.16 0.00 -0.53 0.00 0.00 54.58 54.00 2npk n ASN 72 Cb 0.00 0.00 0.66 0.00 -2.08 0.00 0.00 39.78 38.36 2npk n ASN 72 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 2npk h ASN 73 N 0.00 0.00 0.00 0.53 2.35 -1.93 -3.36 115.58 113.16 2npk h ASN 73 Ca 0.00 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 2npk h ASN 73 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 2npk h ASN 73 CO 0.00 0.04 -1.94 0.49 -1.65 0.00 0.00 177.43 174.38 2npk n PHE 74 N -3.16 0.00 -4.12 1.19 3.72 -1.26 -1.06 117.46 112.76 2npk n PHE 74 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 2npk n PHE 74 Cb 0.32 -0.64 -0.10 0.00 -0.94 0.00 0.00 39.48 38.12 2npk n PHE 74 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 2npk s PHE 75 N -2.33 0.67 0.00 1.38 -0.12 -1.26 -4.30 117.98 112.02 2npk s PHE 75 Ca -0.19 -1.03 0.00 0.00 -0.05 0.00 0.00 56.93 55.65 2npk s PHE 75 Cb 0.05 -0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.00 2npk s PHE 75 CO 0.41 -0.31 0.00 0.41 -0.05 0.00 0.00 175.22 175.68 2npk n GLY 76 N 0.04 0.86 1.82 1.99 0.00 0.27 -1.14 105.19 109.03 2npk n GLY 76 Ca -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 2npk n GLY 76 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2npk n ASN 77 N 0.00 -0.72 -1.55 1.61 0.23 -0.96 -3.97 115.26 109.91 2npk n ASN 77 Ca 0.00 -2.04 -0.14 0.00 -0.53 0.00 0.00 54.58 51.88 2npk n ASN 77 Cb 0.00 1.35 0.12 0.00 -2.08 0.00 0.00 39.78 39.17 2npk n ASN 77 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 2npk n ILE 78 N -0.31 2.65 0.19 1.53 -5.35 -1.26 -2.99 119.36 113.82 2npk n ILE 78 Ca 0.01 -3.35 0.12 0.00 -0.27 0.00 0.00 62.75 59.26 2npk n ILE 78 Cb 0.32 -0.70 0.08 0.00 -1.74 0.00 0.00 39.64 37.60 2npk n ILE 78 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 2npk h ASN 79 N 1.53 0.00 -0.72 7.28 -0.26 -1.94 -3.34 115.58 118.12 2npk h ASN 79 Ca 0.30 -0.01 -0.49 0.00 -0.56 0.00 0.00 56.30 55.54 2npk h ASN 79 Cb 1.43 0.00 -0.30 0.00 -1.06 0.00 0.00 38.32 38.39 2npk h ASN 79 CO 0.63 0.01 -0.11 0.79 -1.06 0.00 0.00 177.43 177.68 2npk n TRP 80 N -2.78 2.45 -1.95 1.19 8.01 -1.26 -4.62 117.44 118.48 2npk n TRP 80 Ca 0.02 -2.29 -0.42 0.00 -1.31 0.00 0.00 57.50 53.50 2npk n TRP 80 Cb 0.53 -0.71 -0.03 0.00 -2.01 0.00 0.00 31.31 29.09 2npk n TRP 80 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 2npk s LEU 81 N -3.57 4.36 -1.84 -0.99 1.02 -1.26 -1.25 118.68 115.16 2npk s LEU 81 Ca 0.53 2.41 0.00 0.00 0.02 0.00 0.00 54.13 57.10 2npk s LEU 81 Cb 0.44 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 43.10 2npk s LEU 81 CO 0.01 -0.89 0.00 0.23 0.02 0.00 0.00 176.35 175.72 2npk n MET 82 N 6.05 -1.66 -1.44 1.70 2.81 -0.55 -1.83 117.12 122.21 2npk n MET 82 Ca 0.16 1.04 -0.15 0.00 -1.81 0.00 0.00 57.70 56.94 2npk n MET 82 Cb 0.41 -5.65 -0.06 0.00 -0.71 0.00 0.00 33.22 27.21 2npk n MET 82 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2npk n LEU 83 N -2.88 -1.07 -4.76 4.03 4.77 -0.38 -4.97 117.00 111.74 2npk n LEU 83 Ca -0.24 0.37 -0.40 0.00 -0.03 0.00 0.00 56.01 55.72 2npk n LEU 83 Cb 0.68 -2.25 0.02 0.00 -2.33 0.00 0.00 43.42 39.54 2npk n LEU 83 CO 0.29 -0.81 1.05 -0.75 -1.33 0.00 0.00 177.39 175.84 2npk s LYS 84 N -3.26 3.56 0.00 3.23 2.20 -0.76 -2.12 119.74 122.59 2npk s LYS 84 Ca 0.00 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.99 2npk s LYS 84 Cb 0.00 -2.56 0.00 0.00 -1.51 0.00 0.00 37.83 33.76 2npk s LYS 84 CO 0.00 -0.91 0.00 0.09 -0.36 0.00 0.00 175.35 174.17 2npk n ASN 85 N -0.39 0.00 -4.40 1.43 3.02 -1.26 -4.29 115.26 109.38 2npk n ASN 85 Ca 0.06 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.17 2npk n ASN 85 Cb 0.42 -0.43 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 2npk n ASN 85 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2npk s ILE 86 N -3.29 5.08 0.50 2.41 1.01 -0.90 -5.04 121.20 120.97 2npk s ILE 86 Ca 0.00 -0.92 -0.23 0.00 0.00 0.00 0.00 60.65 59.50 2npk s ILE 86 Cb 0.00 -4.23 -0.06 0.00 0.01 0.00 0.00 42.46 38.17 2npk s ILE 86 CO 0.00 -0.73 1.36 -1.61 0.00 0.00 0.00 174.94 173.96 2npk s GLU 87 N 2.04 3.41 0.31 2.79 0.41 -1.26 -4.89 118.70 121.51 2npk s GLU 87 Ca 0.08 2.26 0.04 0.00 -0.41 0.00 0.00 54.97 56.94 2npk s GLU 87 Cb -0.23 -2.43 0.66 0.00 -1.78 0.00 0.00 34.13 30.35 2npk s GLU 87 CO 0.08 -0.98 1.86 1.25 -0.49 0.00 0.00 175.26 176.97 2npk h LEU 88 N 1.85 0.82 -1.26 1.80 5.85 -1.97 -0.77 115.31 121.63 2npk h LEU 88 Ca -0.51 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2npk h LEU 88 Cb 1.28 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2npk h LEU 88 CO 0.59 0.44 0.00 0.35 -0.34 0.00 0.00 178.44 179.48 2npk n THR 89 N -4.58 0.42 -1.88 1.05 -2.24 -1.26 -4.77 114.28 101.02 2npk n THR 89 Ca 0.18 -0.45 -0.41 0.00 -2.27 0.00 0.00 64.05 61.10 2npk n THR 89 Cb 0.38 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.86 2npk n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2npk s ALA 90 N -1.58 3.66 -0.08 6.98 0.00 -0.30 -4.90 121.76 125.54 2npk s ALA 90 Ca 0.25 1.47 0.01 0.00 0.00 0.00 0.00 51.96 53.69 2npk s ALA 90 Cb 0.13 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 2npk s ALA 90 CO 0.18 -0.89 -0.08 0.08 0.00 0.00 0.00 175.76 175.05 2npk s VAL 91 N -0.26 3.60 -0.21 0.00 1.01 -1.26 -0.48 120.40 122.79 2npk s VAL 91 Ca 0.59 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2npk s VAL 91 Cb -0.45 -2.48 0.05 0.00 0.00 0.00 0.00 36.38 33.50 2npk s VAL 91 CO 0.49 0.58 -0.06 -0.32 0.00 0.00 0.00 175.10 175.80 2npk s MET 92 N -0.59 1.59 7.26 2.72 0.00 0.29 -4.76 119.30 125.81 2npk s MET 92 Ca 0.09 -0.83 0.00 0.00 0.00 0.00 0.00 55.69 54.95 2npk s MET 92 Cb -0.12 -2.41 0.00 0.00 0.00 0.00 0.00 34.83 32.31 2npk s MET 92 CO 0.02 -0.54 0.00 0.41 0.00 0.00 0.00 175.02 174.91 2npk n GLY 93 N 4.74 2.25 0.05 2.11 0.00 -1.26 -2.73 105.19 110.35 2npk n GLY 93 Ca -0.12 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.66 2npk n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2npk n SER 94 N 9.50 2.03 -4.25 1.61 3.41 -1.26 -4.81 113.62 119.85 2npk n SER 94 Ca 0.00 -2.48 -0.14 0.00 -0.26 0.00 0.00 58.87 55.99 2npk n SER 94 Cb 0.00 -0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 63.64 2npk n SER 94 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2npk s ILE 95 N -1.81 1.11 0.31 -1.33 -4.36 -1.11 -0.66 121.20 113.34 2npk s ILE 95 Ca 0.15 -2.05 -0.29 0.00 -0.26 0.00 0.00 60.65 58.20 2npk s ILE 95 Cb 0.13 -1.90 -0.11 0.00 1.25 0.00 0.00 42.46 41.83 2npk s ILE 95 CO 0.01 -0.70 1.48 -0.31 0.24 0.00 0.00 174.94 175.67 2npk s TYR 96 N -3.37 2.83 0.43 1.37 2.02 -1.26 -0.55 117.35 118.82 2npk s TYR 96 Ca 0.18 1.04 0.15 0.00 -0.37 0.00 0.00 57.07 58.07 2npk s TYR 96 Cb 0.03 -3.93 1.05 0.00 -0.40 0.00 0.00 41.96 38.71 2npk s TYR 96 CO 0.01 -2.93 1.93 0.37 -1.57 0.00 0.00 175.55 173.36 2npk h GLN 97 N 4.25 0.40 -0.70 -0.62 4.15 -1.08 -0.79 115.11 120.73 2npk h GLN 97 Ca -0.48 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.00 2npk h GLN 97 Cb 1.22 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.78 2npk h GLN 97 CO 0.73 0.27 0.46 1.88 -1.93 0.00 0.00 178.83 180.24 2npk h TYR 98 N 0.42 0.66 -0.33 3.99 -1.99 -1.86 0.36 116.97 118.21 2npk h TYR 98 Ca 0.36 0.02 -0.10 0.00 2.00 0.00 0.00 58.73 61.01 2npk h TYR 98 Cb 0.82 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.33 2npk h TYR 98 CO -0.00 0.33 -0.19 0.82 -0.00 0.00 0.00 178.16 179.12 2npk h ILE 99 N 0.64 1.29 -0.80 -2.88 2.04 -1.51 -2.16 117.51 114.13 2npk h ILE 99 Ca 0.31 -1.31 0.03 0.00 1.00 0.00 0.00 64.86 64.89 2npk h ILE 99 Cb 0.39 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 2npk h ILE 99 CO -0.10 0.43 0.51 0.45 0.00 0.00 0.00 178.15 179.44 2npk h HIS 100 N 0.49 0.96 -0.18 1.37 3.86 -1.12 0.16 115.15 120.69 2npk h HIS 100 Ca 0.07 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.33 2npk h HIS 100 Cb 0.73 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.85 2npk h HIS 100 CO 0.06 0.56 0.01 0.28 0.86 0.00 0.00 177.93 179.70 2npk h VAL 101 N 1.00 0.89 -0.36 2.45 2.07 -0.76 -0.05 116.25 121.49 2npk h VAL 101 Ca 0.32 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.75 2npk h VAL 101 Cb 0.01 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2npk h VAL 101 CO -0.11 0.01 -0.02 0.00 0.02 0.00 0.00 177.57 177.47 2npk h ALA 102 N 1.15 0.49 -0.05 1.67 0.00 -0.78 -1.54 119.26 120.19 2npk h ALA 102 Ca 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2npk h ALA 102 Cb 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2npk h ALA 102 CO -0.13 0.28 0.03 0.35 0.00 0.00 0.00 179.25 179.78 2npk h PHE 103 N 0.46 0.07 -0.48 0.00 3.57 -0.52 -1.52 116.94 118.52 2npk h PHE 103 Ca 0.10 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 2npk h PHE 103 Cb 0.50 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 2npk h PHE 103 CO 0.04 0.08 0.11 1.96 -2.23 0.00 0.00 178.31 178.27 2npk h GLN 104 N 0.04 0.73 -0.30 1.11 1.08 -0.97 -2.54 115.11 114.24 2npk h GLN 104 Ca 0.02 -0.14 -0.08 0.00 -1.45 0.00 0.00 58.65 57.00 2npk h GLN 104 Cb 0.03 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 2npk h GLN 104 CO -0.00 0.67 -0.16 0.78 -0.95 0.00 0.00 178.83 179.17 2npk h GLY 105 N 0.91 0.58 1.99 3.46 0.00 -1.00 -2.73 103.07 106.29 2npk h GLY 105 Ca 0.16 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2npk h GLY 105 CO -0.00 0.39 -0.11 1.48 0.00 0.00 0.00 176.54 178.30 2npk h SER 106 N 0.49 0.01 -0.25 0.19 4.64 -0.84 -1.83 113.55 115.96 2npk h SER 106 Ca 0.08 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.23 2npk h SER 106 Cb 0.56 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2npk h SER 106 CO 0.04 0.12 -0.48 -0.26 -0.87 0.00 0.00 176.83 175.38 2npk h PHE 107 N 0.01 1.01 -0.67 4.77 -1.00 -1.46 -2.15 116.94 117.45 2npk h PHE 107 Ca 0.00 -0.33 -0.06 0.00 2.81 0.00 0.00 57.97 60.39 2npk h PHE 107 Cb 0.20 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 39.53 2npk h PHE 107 CO 0.00 1.14 0.18 0.00 -1.61 0.00 0.00 178.31 178.02 2npk h ALA 108 N 0.80 1.05 0.19 2.45 0.00 -1.29 -2.15 119.26 120.33 2npk h ALA 108 Ca 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2npk h ALA 108 Cb 1.06 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2npk h ALA 108 CO 0.11 0.63 -0.09 0.00 0.00 0.00 0.00 179.25 179.89 2npk h ILE 110 N -0.38 1.22 -0.18 0.00 6.09 -1.36 -0.59 117.51 122.30 2npk h ILE 110 Ca -0.03 -0.89 0.02 0.00 -1.37 0.00 0.00 64.86 62.59 2npk h ILE 110 Cb 0.30 0.94 -0.02 0.00 0.47 0.00 0.00 36.82 38.51 2npk h ILE 110 CO 0.04 0.31 0.05 0.74 -3.07 0.00 0.00 178.15 176.22 2npk h THR 111 N 0.58 0.94 -0.50 2.19 2.02 -1.21 -1.02 112.91 115.92 2npk h THR 111 Ca 0.12 -0.05 -0.11 0.00 0.77 0.00 0.00 66.41 67.14 2npk h THR 111 Cb 0.39 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2npk h THR 111 CO 0.02 0.02 -0.14 0.58 0.37 0.00 0.00 175.52 176.37 2npk h VAL 112 N 0.14 1.27 -0.95 3.16 2.07 -1.18 -3.02 116.25 117.74 2npk h VAL 112 Ca 0.08 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.34 2npk h VAL 112 Cb 0.06 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 2npk h VAL 112 CO -0.09 0.44 0.63 1.23 0.02 0.00 0.00 177.57 179.80 2npk h GLY 113 N 0.94 1.35 0.68 2.17 0.00 -0.64 0.10 103.07 107.68 2npk h GLY 113 Ca 0.13 -0.49 0.06 0.00 0.00 0.00 0.00 47.33 47.03 2npk h GLY 113 CO 0.05 0.46 0.46 1.41 0.00 0.00 0.00 176.54 178.93 2npk h LEU 114 N 1.26 0.71 0.10 3.11 3.38 -1.07 -1.52 115.31 121.28 2npk h LEU 114 Ca 0.36 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 2npk h LEU 114 Cb -0.10 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2npk h LEU 114 CO -0.09 0.45 -0.05 0.40 0.09 0.00 0.00 178.44 179.24 2npk h ILE 115 N 0.84 1.05 -0.75 1.22 2.04 -1.32 -3.36 117.51 117.24 2npk h ILE 115 Ca 0.35 -1.35 0.01 0.00 1.00 0.00 0.00 64.86 64.87 2npk h ILE 115 Cb 0.20 1.81 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 2npk h ILE 115 CO -0.18 0.29 0.49 0.58 0.00 0.00 0.00 178.15 179.33 2npk h VAL 116 N -0.84 1.18 -0.86 1.67 2.07 -0.94 -2.82 116.25 115.70 2npk h VAL 116 Ca -0.01 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.24 2npk h VAL 116 Cb 0.58 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 2npk h VAL 116 CO 0.02 0.18 0.56 1.23 0.02 0.00 0.00 177.57 179.58 2npk h GLY 117 N 0.99 1.23 0.79 2.17 0.00 -1.44 0.11 103.07 106.92 2npk h GLY 117 Ca 0.28 -0.38 -0.19 0.00 0.00 0.00 0.00 47.33 47.04 2npk h GLY 117 CO -0.07 0.27 -0.78 0.00 0.00 0.00 0.00 176.54 175.96 2npk h ALA 118 N 1.54 -0.02 -0.00 3.60 0.00 -1.67 -3.37 119.26 119.34 2npk h ALA 118 Ca 0.38 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2npk h ALA 118 Cb 0.25 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2npk h ALA 118 CO -0.14 0.40 -0.43 1.28 0.00 0.00 0.00 179.25 180.36 2npk n LEU 119 N -4.13 0.48 -0.33 0.00 4.77 -1.08 -4.32 117.00 112.39 2npk n LEU 119 Ca -0.12 0.04 0.13 0.00 -0.03 0.00 0.00 56.01 56.02 2npk n LEU 119 Cb 0.78 -0.27 0.31 0.00 -2.33 0.00 0.00 43.42 41.91 2npk n LEU 119 CO 0.49 0.12 1.15 0.00 -1.33 0.00 0.00 177.39 177.81 2npk h ALA 120 N 3.05 1.58 -1.00 -1.18 0.00 -0.95 -1.49 119.26 119.27 2npk h ALA 120 Ca 0.00 0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.18 2npk h ALA 120 Cb 0.50 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 2npk h ALA 120 CO 0.00 -0.13 0.62 0.93 0.00 0.00 0.00 179.25 180.67 2npk h GLU 121 N 0.66 0.81 -0.02 0.00 5.08 -1.85 -3.05 114.58 116.21 2npk h GLU 121 Ca 0.56 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 2npk h GLU 121 Cb 0.93 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2npk h GLU 121 CO -0.41 0.53 -0.33 0.54 -1.00 0.00 0.00 179.01 178.34 2npk n ARG 122 N -4.70 1.54 -4.86 2.33 3.00 -0.59 -4.91 116.66 108.47 2npk n ARG 122 Ca 0.22 -1.25 -0.32 0.00 -0.01 0.00 0.00 57.85 56.49 2npk n ARG 122 Cb 0.50 -1.46 -0.13 0.00 0.00 0.00 0.00 32.46 31.37 2npk n ARG 122 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2npk s ILE 123 N -2.30 2.76 0.43 0.55 2.07 -1.05 -2.72 121.20 120.94 2npk s ILE 123 Ca 0.21 -1.00 -0.25 0.00 -1.41 0.00 0.00 60.65 58.20 2npk s ILE 123 Cb 0.18 -2.10 -0.08 0.00 0.13 0.00 0.00 42.46 40.60 2npk s ILE 123 CO 0.48 0.48 1.33 -0.60 -1.91 0.00 0.00 174.94 174.72 2npk s ARG 124 N -1.03 3.80 0.13 3.50 3.52 -0.14 -4.58 118.95 124.16 2npk s ARG 124 Ca 0.13 2.20 -0.24 0.00 -0.13 0.00 0.00 55.73 57.68 2npk s ARG 124 Cb -0.10 -2.66 -0.02 0.00 -1.56 0.00 0.00 34.95 30.61 2npk s ARG 124 CO 0.02 -0.65 1.64 0.35 -0.81 0.00 0.00 175.30 175.85 2npk h PHE 125 N 2.42 -0.65 -0.26 5.12 3.04 -1.93 -1.52 116.94 123.16 2npk h PHE 125 Ca -0.50 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.47 2npk h PHE 125 Cb 1.26 0.30 -0.01 0.00 2.56 0.00 0.00 35.95 40.06 2npk h PHE 125 CO 0.52 -0.32 0.13 0.66 -2.02 0.00 0.00 178.31 177.27 2npk h SER 126 N -0.32 0.31 0.02 0.41 4.64 -1.95 -2.58 113.55 114.09 2npk h SER 126 Ca 0.10 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.27 2npk h SER 126 Cb 0.46 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 2npk h SER 126 CO -0.29 0.27 -0.41 0.00 -0.87 0.00 0.00 176.83 175.52 2npk h ALA 127 N 1.78 0.90 -0.04 5.18 0.00 -1.63 -2.33 119.26 123.13 2npk h ALA 127 Ca 0.09 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 2npk h ALA 127 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2npk h ALA 127 CO -0.01 0.64 -0.63 -0.24 0.00 0.00 0.00 179.25 179.00 2npk h VAL 128 N 0.40 1.42 -0.26 0.00 3.04 -0.91 -1.55 116.25 118.40 2npk h VAL 128 Ca 0.03 -2.09 -0.04 0.00 -1.01 0.00 0.00 66.70 63.59 2npk h VAL 128 Cb 0.90 2.09 -0.01 0.00 -2.01 0.00 0.00 31.29 32.26 2npk h VAL 128 CO 0.08 0.61 -0.01 -0.07 -1.01 0.00 0.00 177.57 177.17 2npk h LEU 129 N 0.10 0.45 -0.09 3.16 3.38 -1.35 -1.12 115.31 119.84 2npk h LEU 129 Ca -0.01 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2npk h LEU 129 Cb 1.13 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 2npk h LEU 129 CO 0.09 0.66 0.06 0.40 0.09 0.00 0.00 178.44 179.74 2npk h ILE 130 N 0.24 1.04 -0.43 1.22 2.04 -1.34 -2.02 117.51 118.26 2npk h ILE 130 Ca 0.07 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.89 2npk h ILE 130 Cb 0.43 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 2npk h ILE 130 CO 0.01 0.04 0.17 0.15 0.00 0.00 0.00 178.15 178.52 2npk h PHE 131 N 0.10 0.30 -0.59 1.37 3.57 -1.18 -1.52 116.94 119.01 2npk h PHE 131 Ca 0.03 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.58 2npk h PHE 131 Cb 0.01 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 2npk h PHE 131 CO -0.07 0.13 0.36 0.28 -2.23 0.00 0.00 178.31 176.78 2npk h VAL 132 N 0.35 1.08 0.26 1.41 2.07 -1.01 0.11 116.25 120.52 2npk h VAL 132 Ca 0.20 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2npk h VAL 132 Cb 0.17 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2npk h VAL 132 CO -0.18 0.13 -0.17 0.58 0.02 0.00 0.00 177.57 177.94 2npk h VAL 133 N 0.71 0.64 -0.23 2.57 2.07 -0.87 0.28 116.25 121.42 2npk h VAL 133 Ca 0.23 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.75 2npk h VAL 133 Cb 0.01 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2npk h VAL 133 CO -0.09 0.00 0.14 0.58 0.02 0.00 0.00 177.57 178.21 2npk h VAL 134 N -0.42 1.09 -0.24 2.57 2.07 -1.05 -2.40 116.25 117.86 2npk h VAL 134 Ca -0.02 -0.22 -0.19 0.00 0.82 0.00 0.00 66.70 67.09 2npk h VAL 134 Cb 0.36 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2npk h VAL 134 CO 0.02 0.09 -0.58 -0.25 0.02 0.00 0.00 177.57 176.87 2npk h TRP 135 N 0.29 1.04 -0.37 1.57 7.01 -0.70 -0.37 115.95 124.42 2npk h TRP 135 Ca 0.08 -0.40 -0.02 0.00 2.11 0.00 0.00 58.89 60.66 2npk h TRP 135 Cb 0.02 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.88 2npk h TRP 135 CO -0.05 1.22 0.14 1.25 -2.79 0.00 0.00 178.44 178.21 2npk h LEU 136 N 0.57 0.52 -0.09 0.65 5.85 -0.46 -0.12 115.31 122.22 2npk h LEU 136 Ca -0.00 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 2npk h LEU 136 Cb 1.19 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 2npk h LEU 136 CO 0.13 0.55 -0.03 0.74 -0.34 0.00 0.00 178.44 179.49 2npk h THR 137 N 0.46 1.30 0.00 1.05 2.02 -1.43 -1.44 112.91 114.86 2npk h THR 137 Ca 0.12 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.32 2npk h THR 137 Cb 0.20 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2npk h THR 137 CO -0.01 0.28 -0.92 0.18 0.37 0.00 0.00 175.52 175.42 2npk n LEU 138 N -4.76 0.63 0.02 2.58 4.77 -0.15 -4.29 117.00 115.79 2npk n LEU 138 Ca -0.07 0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 55.92 2npk n LEU 138 Cb 0.25 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2npk n LEU 138 CO 0.36 0.04 -0.06 -0.24 -1.33 0.00 0.00 177.39 176.15 2npk n SER 139 N -1.94 0.82 0.01 -1.43 2.88 -0.15 -4.61 113.62 109.21 2npk n SER 139 Ca 0.02 0.11 -0.10 0.00 -1.33 0.00 0.00 58.87 57.58 2npk n SER 139 Cb 0.43 -0.29 -0.03 0.00 -0.75 0.00 0.00 64.21 63.56 2npk n SER 139 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2npk h TYR 140 N -0.10 -0.39 0.40 0.66 3.20 -1.20 -1.95 116.97 117.59 2npk h TYR 140 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2npk h TYR 140 Cb 0.10 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 2npk h TYR 140 CO -0.04 -0.22 -0.40 0.82 -1.64 0.00 0.00 178.16 176.68 2npk h ILE 141 N -0.21 0.19 -0.73 1.81 2.04 -1.45 0.13 117.51 119.29 2npk h ILE 141 Ca 0.08 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.97 2npk h ILE 141 Cb 0.32 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 2npk h ILE 141 CO -0.21 0.00 0.46 -0.65 0.00 0.00 0.00 178.15 177.75 2npk h PRO 142 N -0.82 0.87 -0.72 2.37 0.11 -1.74 0.11 132.00 132.19 2npk h PRO 142 Ca -0.03 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.97 2npk h PRO 142 Cb 0.73 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.61 2npk h PRO 142 CO -0.07 0.58 0.22 0.82 -0.21 0.00 0.00 178.00 179.34 2npk h ILE 143 N 0.90 1.26 -0.62 4.15 2.04 -1.24 0.28 117.51 124.29 2npk h ILE 143 Ca 0.29 -0.91 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 2npk h ILE 143 Cb 0.02 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 2npk h ILE 143 CO -0.11 0.35 0.21 0.00 0.00 0.00 0.00 178.15 178.60 2npk h ALA 144 N 1.11 0.80 -0.51 1.87 0.00 -0.71 -1.17 119.26 120.65 2npk h ALA 144 Ca 0.23 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2npk h ALA 144 Cb 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2npk h ALA 144 CO -0.01 0.46 0.10 1.25 0.00 0.00 0.00 179.25 181.05 2npk h HIS 145 N 0.87 0.89 -0.24 0.00 -0.00 -0.17 0.19 115.15 116.69 2npk h HIS 145 Ca 0.20 -0.12 -0.07 0.00 -0.00 0.00 0.00 60.37 60.38 2npk h HIS 145 Cb 0.27 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 2npk h HIS 145 CO 0.02 0.80 -0.17 0.52 -0.00 0.00 0.00 177.93 179.10 2npk h MET 146 N 0.72 0.41 0.02 5.26 2.07 -0.15 -0.04 114.93 123.22 2npk h MET 146 Ca 0.16 -0.12 -0.36 0.00 -2.07 0.00 0.00 59.70 57.31 2npk h MET 146 Cb 0.38 -0.04 -0.05 0.00 -1.87 0.00 0.00 31.60 30.02 2npk h MET 146 CO 0.01 0.57 -2.00 0.28 1.07 0.00 0.00 176.91 176.84 2npk n VAL 147 N -4.19 1.57 0.39 -2.22 0.31 -0.47 -0.80 118.33 112.91 2npk n VAL 147 Ca 0.00 -0.34 0.04 0.00 -0.01 0.00 0.00 64.34 64.04 2npk n VAL 147 Cb 0.33 -1.84 -0.01 0.00 -0.91 0.00 0.00 33.84 31.41 2npk n VAL 147 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2npk n TRP 148 N -4.03 0.00 -1.09 3.52 8.01 0.60 -4.27 117.44 120.17 2npk n TRP 148 Ca -0.42 0.00 0.01 0.00 -1.31 0.00 0.00 57.50 55.79 2npk n TRP 148 Cb 0.86 0.00 0.28 0.00 -2.01 0.00 0.00 31.31 30.44 2npk n TRP 148 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2npk n GLY 149 N 0.93 3.98 2.13 6.99 0.00 -0.26 -4.94 105.19 114.03 2npk n GLY 149 Ca 0.03 -1.05 -0.02 0.00 0.00 0.00 0.00 46.02 44.98 2npk n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2npk n GLY 150 N -0.41 0.53 0.00 -0.02 0.00 -1.12 -4.85 105.19 99.32 2npk n GLY 150 Ca 0.31 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2npk n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2npk n GLY 151 N -2.46 -0.64 0.40 -0.02 0.00 -0.19 -4.56 105.19 97.71 2npk n GLY 151 Ca -0.02 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.24 2npk n GLY 151 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2npk h LEU 152 N 0.00 -1.90 -0.21 0.99 5.85 -1.15 -0.68 115.31 118.20 2npk h LEU 152 Ca 0.00 0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 2npk h LEU 152 Cb 0.00 0.82 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2npk h LEU 152 CO 0.00 -0.27 0.10 -0.07 -0.34 0.00 0.00 178.44 177.86 2npk h LEU 153 N -0.13 0.28 -0.46 2.25 3.38 -1.67 -2.63 115.31 116.33 2npk h LEU 153 Ca 0.12 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2npk h LEU 153 Cb 0.44 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2npk h LEU 153 CO -0.76 0.34 0.29 0.00 0.09 0.00 0.00 178.44 178.40 2npk h ALA 154 N 0.96 0.59 0.00 1.53 0.00 -0.81 -1.32 119.26 120.20 2npk h ALA 154 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2npk h ALA 154 Cb 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2npk h ALA 154 CO -0.01 -0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.90 2npk h SER 155 N 0.59 0.00 -0.43 0.00 4.64 -0.94 0.17 113.55 117.58 2npk h SER 155 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2npk h SER 155 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2npk h SER 155 CO -0.06 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.31 2npk n HIS 156 N -2.75 0.57 -2.14 4.77 -0.00 -0.58 -4.97 115.22 110.12 2npk n HIS 156 Ca -0.02 -0.33 -0.03 0.00 -0.00 0.00 0.00 57.72 57.34 2npk n HIS 156 Cb 0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.05 2npk n HIS 156 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2npk n GLY 157 N 1.33 0.32 3.76 -1.41 0.00 0.61 -4.98 105.19 104.81 2npk n GLY 157 Ca 0.18 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 2npk n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2npk s ALA 158 N -2.27 3.48 -0.25 4.61 0.00 -0.73 -4.99 121.76 121.61 2npk s ALA 158 Ca 0.01 1.14 -0.08 0.00 0.00 0.00 0.00 51.96 53.04 2npk s ALA 158 Cb -0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2npk s ALA 158 CO 0.01 -0.50 0.08 -0.51 0.00 0.00 0.00 175.76 174.85 2npk s LEU 159 N -1.41 3.53 -0.44 0.00 1.43 -1.26 -4.76 118.68 115.76 2npk s LEU 159 Ca 0.49 -0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.50 2npk s LEU 159 Cb -0.37 -1.95 0.18 0.00 0.03 0.00 0.00 46.19 44.08 2npk s LEU 159 CO 0.47 -0.02 0.63 -0.62 0.23 0.00 0.00 176.35 177.04 2npk s ASP 160 N 1.54 -1.21 0.11 2.29 -1.08 -1.26 -4.92 116.67 112.14 2npk s ASP 160 Ca 0.06 -1.17 -0.25 0.00 -0.52 0.00 0.00 52.55 50.66 2npk s ASP 160 Cb -0.15 1.77 -0.10 0.00 -1.46 0.00 0.00 42.92 42.99 2npk s ASP 160 CO 0.04 -0.14 1.67 0.15 0.52 0.00 0.00 175.17 177.41 2npk h PHE 161 N 6.41 -0.45 0.00 -5.34 3.57 -1.07 -3.36 116.94 116.70 2npk h PHE 161 Ca 0.06 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2npk h PHE 161 Cb 1.14 0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2npk h PHE 161 CO 0.15 -0.26 0.00 0.00 -2.23 0.00 0.00 178.31 175.98 2npk n ALA 162 N -2.45 1.92 0.00 2.41 0.00 -0.57 -4.89 120.51 116.93 2npk n ALA 162 Ca -0.07 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2npk n ALA 162 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 2npk n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2npk n GLY 163 N -0.30 1.58 0.36 0.00 0.00 -1.26 -4.84 105.19 100.72 2npk n GLY 163 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2npk n GLY 163 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2npk h GLY 164 N 0.00 1.17 0.00 -0.02 0.00 -1.89 -0.22 103.07 102.11 2npk h GLY 164 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2npk h GLY 164 CO 0.00 0.32 -0.21 -0.91 0.00 0.00 0.00 176.54 175.75 2npk h THR 165 N 0.99 0.00 -1.00 4.70 1.35 -1.95 -0.96 112.91 116.04 2npk h THR 165 Ca 0.34 -0.52 0.26 0.00 -0.55 0.00 0.00 66.41 65.94 2npk h THR 165 Cb 0.09 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 66.39 2npk h THR 165 CO -0.11 0.00 0.59 0.58 -0.25 0.00 0.00 175.52 176.33 2npk h VAL 166 N -0.52 0.50 0.00 6.82 2.07 -1.90 -1.31 116.25 121.91 2npk h VAL 166 Ca 0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2npk h VAL 166 Cb 0.21 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 2npk h VAL 166 CO 0.00 0.10 -0.19 0.52 0.02 0.00 0.00 177.57 178.02 2npk n VAL 167 N -4.91 0.31 0.25 2.57 0.31 -0.16 -4.55 118.33 112.15 2npk n VAL 167 Ca 0.28 0.39 -0.11 0.00 -0.01 0.00 0.00 64.34 64.88 2npk n VAL 167 Cb 0.78 -1.62 -0.06 0.00 -0.91 0.00 0.00 33.84 32.03 2npk n VAL 167 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2npk h ALA 168 N -1.60 -1.12 -0.41 3.52 0.00 -1.44 -1.04 119.26 117.17 2npk h ALA 168 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2npk h ALA 168 Cb 0.19 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2npk h ALA 168 CO 0.00 -1.09 0.12 0.82 0.00 0.00 0.00 179.25 179.10 2npk h ILE 169 N -0.69 1.22 -0.31 0.00 2.04 -1.19 -0.16 117.51 118.42 2npk h ILE 169 Ca -0.06 -0.74 0.07 0.00 1.00 0.00 0.00 64.86 65.13 2npk h ILE 169 Cb 0.55 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 2npk h ILE 169 CO 0.07 0.26 -0.19 -1.13 0.00 0.00 0.00 178.15 177.16 2npk h ASN 170 N 0.53 -0.63 -0.14 1.72 -1.24 -1.30 -1.27 115.58 113.25 2npk h ASN 170 Ca 0.13 0.13 -0.17 0.00 0.71 0.00 0.00 56.30 57.11 2npk h ASN 170 Cb 0.28 0.33 -0.00 0.00 0.73 0.00 0.00 38.32 39.65 2npk h ASN 170 CO -0.00 -0.23 -0.51 0.00 -1.29 0.00 0.00 177.43 175.40 2npk h ALA 171 N 1.03 0.62 -0.65 1.57 0.00 -1.04 -2.88 119.26 117.90 2npk h ALA 171 Ca 0.16 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2npk h ALA 171 Cb 0.40 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2npk h ALA 171 CO -0.40 0.68 0.35 0.00 0.00 0.00 0.00 179.25 179.88 2npk h ALA 172 N 0.87 0.84 -0.20 0.00 0.00 -0.58 -0.90 119.26 119.29 2npk h ALA 172 Ca 0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2npk h ALA 172 Cb 1.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2npk h ALA 172 CO 0.11 0.36 -0.05 0.82 0.00 0.00 0.00 179.25 180.49 2npk h ILE 173 N 0.90 1.29 -0.84 0.00 1.08 -1.28 -0.04 117.51 118.61 2npk h ILE 173 Ca 0.23 -1.03 0.04 0.00 -0.39 0.00 0.00 64.86 63.72 2npk h ILE 173 Cb 0.05 1.55 -0.05 0.00 -3.07 0.00 0.00 36.82 35.30 2npk h ILE 173 CO -0.04 0.31 0.53 0.00 -0.69 0.00 0.00 178.15 178.27 2npk h ALA 174 N 0.74 1.13 -0.41 1.87 0.00 -1.36 -0.28 119.26 120.95 2npk h ALA 174 Ca 0.05 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2npk h ALA 174 Cb 0.50 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2npk h ALA 174 CO 0.02 0.33 -0.06 0.78 0.00 0.00 0.00 179.25 180.32 2npk h GLY 175 N 1.01 0.83 1.82 0.00 0.00 -1.04 -2.39 103.07 103.31 2npk h GLY 175 Ca 0.35 -0.66 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 2npk h GLY 175 CO -0.14 0.60 -0.27 1.41 0.00 0.00 0.00 176.54 178.14 2npk h LEU 176 N 0.59 0.21 -0.38 3.11 3.38 -0.55 0.10 115.31 121.77 2npk h LEU 176 Ca 0.11 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 2npk h LEU 176 Cb 0.57 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2npk h LEU 176 CO 0.03 0.48 -0.18 0.58 0.09 0.00 0.00 178.44 179.44 2npk h VAL 177 N 0.19 1.28 -0.44 1.22 2.07 -0.96 -1.89 116.25 117.71 2npk h VAL 177 Ca 0.03 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.20 2npk h VAL 177 Cb 0.58 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2npk h VAL 177 CO 0.04 0.44 0.13 1.23 0.02 0.00 0.00 177.57 179.43 2npk h GLY 178 N 0.60 0.75 1.70 2.17 0.00 -0.96 -1.34 103.07 105.99 2npk h GLY 178 Ca 0.09 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 2npk h GLY 178 CO 0.06 0.42 0.09 0.00 0.00 0.00 0.00 176.54 177.11 2npk h ALA 179 N 0.99 1.64 -0.02 3.60 0.00 -0.72 0.06 119.26 124.82 2npk h ALA 179 Ca 0.14 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 2npk h ALA 179 Cb 0.28 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.96 2npk h ALA 179 CO -0.00 0.28 -0.81 -0.92 0.00 0.00 0.00 179.25 177.80 2npk h TYR 180 N 0.39 0.85 0.10 0.00 3.20 -1.06 -3.37 116.97 117.08 2npk h TYR 180 Ca 0.10 -0.45 -0.00 0.00 3.14 0.00 0.00 58.73 61.51 2npk h TYR 180 Cb 0.11 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2npk h TYR 180 CO 0.00 1.27 -0.05 -0.07 -1.64 0.00 0.00 178.16 177.68 2npk h LEU 181 N 0.18 -0.11-10.03 2.82 3.38 -0.81 -3.46 115.31 107.29 2npk h LEU 181 Ca -0.10 -0.41 -0.68 0.00 0.09 0.00 0.00 57.88 56.78 2npk h LEU 181 Cb 1.48 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 42.13 2npk h LEU 181 CO 0.16 0.39 -0.51 0.27 0.09 0.00 0.00 178.44 178.84 2npk s ILE 182 N -4.04 1.08 0.00 1.22 -4.36 -0.03 -5.10 121.20 109.96 2npk s ILE 182 Ca -0.15 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.24 2npk s ILE 182 Cb 0.01 -2.13 0.00 0.00 1.25 0.00 0.00 42.46 41.60 2npk s ILE 182 CO 0.60 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.39 2npk n GLY 183 N -1.26 2.92 3.69 6.27 0.00 -1.26 -4.15 105.19 111.40 2npk n GLY 183 Ca -0.19 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 2npk n GLY 183 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2npk s LYS 184 N -4.48 4.13 0.03 1.61 2.20 -1.26 -4.84 119.74 117.13 2npk s LYS 184 Ca 0.00 2.60 -0.21 0.00 -0.36 0.00 0.00 55.97 58.00 2npk s LYS 184 Cb 0.00 -3.57 -0.06 0.00 -1.51 0.00 0.00 37.83 32.69 2npk s LYS 184 CO 0.00 -0.84 0.62 1.03 -0.36 0.00 0.00 175.35 175.80 2npk s ARG 185 N 2.68 4.32 0.23 4.03 1.81 -1.26 0.12 118.95 130.88 2npk s ARG 185 Ca 0.81 0.80 -0.03 0.00 -1.72 0.00 0.00 55.73 55.58 2npk s ARG 185 Cb -0.46 -3.31 0.05 0.00 -0.45 0.00 0.00 34.95 30.78 2npk s ARG 185 CO 0.36 0.45 0.32 0.28 -0.68 0.00 0.00 175.30 176.03 2npk n VAL 186 N 2.38 0.00 0.00 3.52 0.31 -1.26 -4.83 118.33 118.45 2npk n VAL 186 Ca -0.07 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 2npk n VAL 186 Cb 0.51 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 2npk n VAL 186 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2npk n PHE 193 N -2.32 0.00 -3.47 3.52 7.35 -1.26 -5.11 117.46 116.17 2npk n PHE 193 Ca 0.04 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.36 2npk n PHE 193 Cb 0.14 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.90 2npk n PHE 193 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2npk s LYS 194 N 0.00 4.25 0.01 -4.13 -0.14 -1.26 -5.02 119.74 113.45 2npk s LYS 194 Ca 0.00 0.17 -0.34 0.00 -1.36 0.00 0.00 55.97 54.43 2npk s LYS 194 Cb 0.00 -3.46 -0.17 0.00 -1.68 0.00 0.00 37.83 32.52 2npk s LYS 194 CO 0.00 0.15 0.91 -2.30 -0.76 0.00 0.00 175.35 173.34 2npk n PRO 195 N 3.84 0.00 0.04 -1.68 -0.02 -1.26 -4.93 135.00 130.99 2npk n PRO 195 Ca -0.10 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.33 2npk n PRO 195 Cb 0.52 -1.29 -0.10 0.00 -0.02 0.00 0.00 33.50 32.61 2npk n PRO 195 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 2npk h HIS 196 N 2.51 0.00 -2.44 6.00 2.07 -1.76 -3.42 115.15 118.10 2npk h HIS 196 Ca -0.43 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 56.49 2npk h HIS 196 Cb 1.26 0.00 -0.39 0.00 2.57 0.00 0.00 27.41 30.85 2npk h HIS 196 CO 0.49 0.85 -0.92 -1.71 -3.07 0.00 0.00 177.93 173.57 2npk n ASN 197 N -3.15 0.09 -0.07 3.10 2.85 -1.07 -4.98 115.26 112.03 2npk n ASN 197 Ca -0.07 -2.52 -0.04 0.00 -0.11 0.00 0.00 54.58 51.84 2npk n ASN 197 Cb 0.93 -0.59 0.17 0.00 1.24 0.00 0.00 39.78 41.53 2npk n ASN 197 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2npk h LEU 198 N 5.49 0.68 -1.68 1.20 3.38 -1.83 -1.70 115.31 120.86 2npk h LEU 198 Ca 0.24 -0.19 0.15 0.00 0.09 0.00 0.00 57.88 58.18 2npk h LEU 198 Cb 0.88 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 2npk h LEU 198 CO 0.43 0.81 0.48 -0.65 0.09 0.00 0.00 178.44 179.60 2npk h PRO 199 N 0.64 0.31 -0.33 1.13 0.11 -1.96 -0.31 132.00 131.58 2npk h PRO 199 Ca 0.11 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 66.04 2npk h PRO 199 Cb 0.54 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 2npk h PRO 199 CO 0.03 0.20 -0.44 1.98 -0.21 0.00 0.00 178.00 179.57 2npk h MET 200 N 0.32 0.85 -0.60 1.05 4.05 -1.67 -1.95 114.93 116.98 2npk h MET 200 Ca 0.35 -0.47 -0.03 0.00 -0.28 0.00 0.00 59.70 59.27 2npk h MET 200 Cb 0.91 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.71 2npk h MET 200 CO -0.09 1.11 0.27 0.28 0.23 0.00 0.00 176.91 178.71 2npk h VAL 201 N 0.68 1.22 -0.52 -5.77 2.07 -0.74 -1.55 116.25 111.64 2npk h VAL 201 Ca 0.04 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2npk h VAL 201 Cb 1.02 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2npk h VAL 201 CO 0.10 0.25 0.34 0.15 0.02 0.00 0.00 177.57 178.43 2npk h PHE 202 N 0.81 0.66 -0.45 1.57 3.57 -1.03 0.31 116.94 122.39 2npk h PHE 202 Ca 0.20 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2npk h PHE 202 Cb 0.14 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 2npk h PHE 202 CO 0.00 0.43 0.26 1.15 -2.23 0.00 0.00 178.31 177.92 2npk h THR 203 N 0.70 1.15 -0.67 4.41 2.02 -1.05 0.60 112.91 120.08 2npk h THR 203 Ca 0.19 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 2npk h THR 203 Cb -0.06 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 2npk h THR 203 CO -0.04 0.16 0.37 1.23 0.37 0.00 0.00 175.52 177.60 2npk h GLY 204 N 0.59 0.99 0.99 2.16 0.00 -0.97 -0.98 103.07 105.85 2npk h GLY 204 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2npk h GLY 204 CO -0.03 0.43 0.25 -0.84 0.00 0.00 0.00 176.54 176.35 2npk h THR 205 N 0.91 1.12 -0.42 4.70 2.02 -0.51 -0.60 112.91 120.12 2npk h THR 205 Ca 0.23 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2npk h THR 205 Cb 0.04 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 2npk h THR 205 CO -0.04 0.11 0.28 0.00 0.37 0.00 0.00 175.52 176.25 2npk h ALA 206 N 1.12 0.54 -0.63 6.16 0.00 -0.54 0.21 119.26 126.13 2npk h ALA 206 Ca 0.14 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2npk h ALA 206 Cb -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2npk h ALA 206 CO -0.03 -0.01 0.07 0.82 0.00 0.00 0.00 179.25 180.10 2npk h ILE 207 N 0.58 1.26 -0.60 0.00 2.04 -0.99 -1.13 117.51 118.67 2npk h ILE 207 Ca 0.16 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 2npk h ILE 207 Cb -0.06 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2npk h ILE 207 CO -0.03 0.39 0.37 -0.07 0.00 0.00 0.00 178.15 178.81 2npk h LEU 208 N 0.97 0.71 0.40 1.44 3.38 -0.75 0.02 115.31 121.47 2npk h LEU 208 Ca 0.19 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2npk h LEU 208 Cb 0.48 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2npk h LEU 208 CO 0.02 0.55 -0.19 0.22 0.09 0.00 0.00 178.44 179.13 2npk h TYR 209 N 0.81 -0.49 -0.34 1.13 3.20 -0.64 0.37 116.97 121.02 2npk h TYR 209 Ca 0.22 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2npk h TYR 209 Cb -0.04 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 2npk h TYR 209 CO -0.02 -0.30 0.18 0.82 -1.64 0.00 0.00 178.16 177.19 2npk h ILE 210 N -0.54 1.15 -0.10 1.81 1.08 -1.13 -2.30 117.51 117.48 2npk h ILE 210 Ca -0.05 -0.41 -0.02 0.00 -0.39 0.00 0.00 64.86 63.99 2npk h ILE 210 Cb 0.41 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 2npk h ILE 210 CO 0.09 0.15 -0.02 1.23 -0.69 0.00 0.00 178.15 178.91 2npk h GLY 211 N 0.42 0.15 2.00 5.37 0.00 -0.90 -2.34 103.07 107.77 2npk h GLY 211 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2npk h GLY 211 CO -0.02 0.07 0.00 -0.25 0.00 0.00 0.00 176.54 176.34 2npk h TRP 212 N 0.14 0.00 -0.15 5.60 2.91 -0.31 -1.16 115.95 122.98 2npk h TRP 212 Ca 0.03 0.00 -0.17 0.00 1.13 0.00 0.00 58.89 59.88 2npk h TRP 212 Cb 0.13 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.78 2npk h TRP 212 CO 0.00 0.00 -0.62 0.74 -1.03 0.00 0.00 178.44 177.53 2npk h PHE 213 N 0.00 0.66 -0.35 2.65 0.04 -1.44 0.17 116.94 118.67 2npk h PHE 213 Ca 0.00 -0.25 -0.16 0.00 2.80 0.00 0.00 57.97 60.35 2npk h PHE 213 Cb 0.13 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.16 2npk h PHE 213 CO 0.00 1.00 -0.42 0.78 -0.60 0.00 0.00 178.31 179.07 2npk h GLY 214 N 1.11 0.98 0.87 -1.45 0.00 -1.38 0.17 103.07 103.36 2npk h GLY 214 Ca -0.01 -1.05 -0.02 0.00 0.00 0.00 0.00 47.33 46.26 2npk h GLY 214 CO 0.11 0.94 -0.29 -2.75 0.00 0.00 0.00 176.54 174.56 2npk h PHE 215 N 0.71 -0.76 0.16 5.60 3.04 -1.28 -0.01 116.94 124.40 2npk h PHE 215 Ca 0.05 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 2npk h PHE 215 Cb 1.02 0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.80 2npk h PHE 215 CO 0.07 -0.44 -0.08 -0.91 -2.02 0.00 0.00 178.31 174.93 2npk h ASN 216 N -0.72 -0.18 -0.90 0.41 2.35 -0.70 -3.16 115.58 112.68 2npk h ASN 216 Ca -0.05 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.56 2npk h ASN 216 Cb 0.59 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.96 2npk h ASN 216 CO 0.05 0.34 0.48 0.00 -1.65 0.00 0.00 177.43 176.65 2npk h ALA 217 N -0.88 1.15 0.00 -0.83 0.00 -1.10 -2.28 119.26 115.33 2npk h ALA 217 Ca -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2npk h ALA 217 Cb 0.28 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2npk h ALA 217 CO 0.04 0.67 -0.03 0.78 0.00 0.00 0.00 179.25 180.70 2npk h GLY 218 N 1.26 0.00 1.86 0.00 0.00 -1.04 -2.16 103.07 102.99 2npk h GLY 218 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2npk h GLY 218 CO -0.05 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.93 2npk n SER 219 N -3.40 0.00 0.20 0.19 7.64 -0.86 -1.11 113.62 116.29 2npk n SER 219 Ca -0.02 0.38 0.09 0.00 1.01 0.00 0.00 58.87 60.33 2npk n SER 219 Cb 0.15 -0.43 0.22 0.00 -1.01 0.00 0.00 64.21 63.15 2npk n SER 219 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2npk h ALA 220 N 2.41 0.90 0.00 -0.43 0.00 -1.55 -3.47 119.26 117.12 2npk h ALA 220 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2npk h ALA 220 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2npk h ALA 220 CO 0.00 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.91 2npk n GLY 221 N 0.88 0.47 3.54 0.00 0.00 -0.27 -4.97 105.19 104.84 2npk n GLY 221 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2npk n GLY 221 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2npk s THR 222 N -2.09 0.00 -1.36 2.61 -1.32 -1.26 -4.65 115.64 107.57 2npk s THR 222 Ca 0.00 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.40 2npk s THR 222 Cb 0.00 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.10 2npk s THR 222 CO 0.00 0.00 2.22 0.00 -2.21 0.00 0.00 174.62 174.63 2npk n ALA 223 N 0.51 6.17 -2.83 11.08 0.00 -1.26 -4.39 120.51 129.79 2npk n ALA 223 Ca -0.12 -4.10 0.00 0.00 0.00 0.00 0.00 53.44 49.22 2npk n ALA 223 Cb 0.59 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 17.03 2npk n ALA 223 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2npk n ASN 224 N 3.29 0.89 0.24 0.00 6.94 -1.26 -4.98 115.26 120.38 2npk n ASN 224 Ca 0.54 -0.38 0.12 0.00 -0.02 0.00 0.00 54.58 54.83 2npk n ASN 224 Cb 0.31 0.00 0.56 0.00 -2.36 0.00 0.00 39.78 38.29 2npk n ASN 224 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 2npk h GLU 225 N 0.00 0.00 0.09 -3.83 9.09 -1.99 -2.35 114.58 115.60 2npk h GLU 225 Ca 0.00 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.12 2npk h GLU 225 Cb 0.00 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.13 2npk h GLU 225 CO 0.00 0.17 -1.20 0.82 0.05 0.00 0.00 179.01 178.86 2npk h ILE 226 N 0.00 1.29 -0.72 -1.06 1.08 -1.94 -0.82 117.51 115.34 2npk h ILE 226 Ca -0.00 -2.43 0.01 0.00 -0.39 0.00 0.00 64.86 62.04 2npk h ILE 226 Cb 0.61 2.63 -0.04 0.00 -3.07 0.00 0.00 36.82 36.95 2npk h ILE 226 CO 0.02 0.74 0.48 0.00 -0.69 0.00 0.00 178.15 178.70 2npk h ALA 227 N 0.34 0.91 -0.63 1.87 0.00 -1.72 0.16 119.26 120.18 2npk h ALA 227 Ca -0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2npk h ALA 227 Cb 1.86 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 2npk h ALA 227 CO 0.23 0.34 0.36 0.00 0.00 0.00 0.00 179.25 180.17 2npk h ALA 228 N 1.26 0.81 -0.24 0.00 0.00 -1.34 0.24 119.26 119.99 2npk h ALA 228 Ca 0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2npk h ALA 228 Cb -0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 2npk h ALA 228 CO -0.06 0.31 0.09 1.25 0.00 0.00 0.00 179.25 180.84 2npk h LEU 229 N 0.86 0.33 -0.95 0.00 5.85 -0.76 -1.59 115.31 119.05 2npk h LEU 229 Ca 0.22 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2npk h LEU 229 Cb 0.02 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 2npk h LEU 229 CO -0.04 0.43 0.58 0.00 -0.34 0.00 0.00 178.44 179.07 2npk h ALA 230 N 0.92 1.22 0.52 1.25 0.00 -0.68 0.11 119.26 122.60 2npk h ALA 230 Ca 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2npk h ALA 230 Cb 0.20 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2npk h ALA 230 CO -0.00 0.67 -0.27 0.35 0.00 0.00 0.00 179.25 180.00 2npk h PHE 231 N 1.32 -0.70 -0.65 0.00 3.04 -0.71 -0.43 116.94 118.81 2npk h PHE 231 Ca 0.34 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.29 2npk h PHE 231 Cb -0.06 0.24 -0.04 0.00 2.56 0.00 0.00 35.95 38.65 2npk h PHE 231 CO 0.01 -0.43 0.42 0.28 -2.02 0.00 0.00 178.31 176.57 2npk h VAL 232 N -0.73 1.14 0.00 1.41 2.07 -1.03 -1.97 116.25 117.14 2npk h VAL 232 Ca -0.07 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2npk h VAL 232 Cb 0.57 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2npk h VAL 232 CO 0.10 0.16 -0.20 0.78 0.02 0.00 0.00 177.57 178.43 2npk h ASN 233 N 0.85 0.00 -0.28 0.57 2.35 -0.66 -0.98 115.58 117.43 2npk h ASN 233 Ca 0.25 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.90 2npk h ASN 233 Cb -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2npk h ASN 233 CO -0.07 0.20 -0.22 0.74 -1.65 0.00 0.00 177.43 176.43 2npk h THR 234 N 0.00 1.30 -0.24 2.81 2.02 -0.35 -0.38 112.91 118.08 2npk h THR 234 Ca -0.00 -1.37 -0.00 0.00 0.77 0.00 0.00 66.41 65.81 2npk h THR 234 Cb 0.35 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 2npk h THR 234 CO 0.03 0.43 0.13 0.58 0.37 0.00 0.00 175.52 177.06 2npk h VAL 235 N 0.37 1.11 0.10 3.16 2.07 -0.94 -2.27 116.25 119.86 2npk h VAL 235 Ca 0.05 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 2npk h VAL 235 Cb 0.77 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2npk h VAL 235 CO 0.06 0.11 -0.05 0.58 0.02 0.00 0.00 177.57 178.29 2npk h VAL 236 N 0.28 1.08 -0.62 2.57 2.07 -1.14 -2.57 116.25 117.91 2npk h VAL 236 Ca 0.08 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 2npk h VAL 236 Cb 0.06 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 2npk h VAL 236 CO -0.01 0.17 0.14 0.00 0.02 0.00 0.00 177.57 177.88 2npk h ALA 237 N 0.40 1.08 -0.43 1.67 0.00 -1.12 -0.94 119.26 119.91 2npk h ALA 237 Ca -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2npk h ALA 237 Cb 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2npk h ALA 237 CO 0.02 0.61 0.19 1.15 0.00 0.00 0.00 179.25 181.22 2npk h THR 238 N 0.93 1.20 -0.35 0.00 2.02 -1.44 -1.30 112.91 113.96 2npk h THR 238 Ca 0.20 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 2npk h THR 238 Cb 0.35 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 2npk h THR 238 CO 0.00 0.22 0.14 0.00 0.37 0.00 0.00 175.52 176.25 2npk h ALA 239 N 1.03 0.46 -0.52 6.16 0.00 -1.30 -1.24 119.26 123.85 2npk h ALA 239 Ca 0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2npk h ALA 239 Cb 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2npk h ALA 239 CO -0.01 0.07 0.12 0.00 0.00 0.00 0.00 179.25 179.42 2npk h ALA 240 N 0.98 1.23 -0.06 0.00 0.00 -1.08 -1.85 119.26 118.48 2npk h ALA 240 Ca 0.12 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 2npk h ALA 240 Cb 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2npk h ALA 240 CO -0.01 0.53 -0.72 0.00 0.00 0.00 0.00 179.25 179.06 2npk h ALA 241 N 1.36 0.67 -0.26 0.00 0.00 -1.07 0.54 119.26 120.51 2npk h ALA 241 Ca 0.17 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2npk h ALA 241 Cb 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2npk h ALA 241 CO -0.00 0.78 0.05 0.82 0.00 0.00 0.00 179.25 180.90 2npk h ILE 242 N 0.20 1.23 -0.59 0.00 2.04 -0.95 -1.05 117.51 118.38 2npk h ILE 242 Ca -0.02 -0.76 -0.09 0.00 1.00 0.00 0.00 64.86 64.99 2npk h ILE 242 Cb 1.28 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 2npk h ILE 242 CO 0.12 0.24 0.03 -0.07 0.00 0.00 0.00 178.15 178.47 2npk h LEU 243 N 0.24 0.98 -0.03 1.44 3.38 -1.24 -0.69 115.31 119.39 2npk h LEU 243 Ca 0.08 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2npk h LEU 243 Cb 0.32 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2npk h LEU 243 CO 0.00 1.01 0.01 1.23 0.09 0.00 0.00 178.44 180.78 2npk h GLY 244 N 1.01 0.05 0.96 0.83 0.00 -0.76 -0.60 103.07 104.55 2npk h GLY 244 Ca 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 2npk h GLY 244 CO 0.02 0.03 -0.03 -0.25 0.00 0.00 0.00 176.54 176.31 2npk h TRP 245 N -0.19 -0.07 -0.63 5.60 2.91 -1.13 -2.08 115.95 120.35 2npk h TRP 245 Ca 0.01 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.03 2npk h TRP 245 Cb 0.25 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 28.89 2npk h TRP 245 CO 0.01 -0.01 0.41 0.82 -1.03 0.00 0.00 178.44 178.64 2npk h ILE 246 N -0.12 1.16 -0.40 2.65 1.08 -1.11 0.01 117.51 120.79 2npk h ILE 246 Ca -0.01 -0.31 -0.09 0.00 -0.39 0.00 0.00 64.86 64.06 2npk h ILE 246 Cb 0.10 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.09 2npk h ILE 246 CO 0.01 0.16 -0.10 0.15 -0.69 0.00 0.00 178.15 177.68 2npk h PHE 247 N 0.85 0.87 -0.48 1.37 3.57 -0.91 0.08 116.94 122.30 2npk h PHE 247 Ca 0.23 -0.19 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 2npk h PHE 247 Cb -0.09 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 2npk h PHE 247 CO 0.00 0.91 -0.03 0.78 -2.23 0.00 0.00 178.31 177.74 2npk h GLY 248 N 0.59 0.88 1.08 2.40 0.00 -0.79 -0.12 103.07 107.12 2npk h GLY 248 Ca 0.10 -0.61 -0.12 0.00 0.00 0.00 0.00 47.33 46.70 2npk h GLY 248 CO 0.04 0.56 -0.17 -2.09 0.00 0.00 0.00 176.54 174.88 2npk h GLU 249 N 0.75 0.97 -0.62 4.80 4.81 -0.80 0.12 114.58 124.61 2npk h GLU 249 Ca 0.14 -0.40 -0.06 0.00 -0.13 0.00 0.00 59.36 58.92 2npk h GLU 249 Cb 0.50 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 2npk h GLU 249 CO 0.03 1.07 0.17 2.35 -0.73 0.00 0.00 179.01 181.90 2npk h TRP 250 N 0.82 1.02 -0.26 0.92 7.01 -0.75 0.37 115.95 125.09 2npk h TRP 250 Ca 0.12 -0.11 -0.08 0.00 2.11 0.00 0.00 58.89 60.93 2npk h TRP 250 Cb 0.74 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.50 2npk h TRP 250 CO 0.05 0.85 -0.14 0.00 -2.79 0.00 0.00 178.44 176.41 2npk h ALA 251 N 1.06 0.37 0.00 2.65 0.00 -0.79 -0.02 119.26 122.53 2npk h ALA 251 Ca 0.20 -0.32 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 2npk h ALA 251 Cb 0.32 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2npk h ALA 251 CO -0.00 0.25 -1.54 1.28 0.00 0.00 0.00 179.25 179.24 2npk n LEU 252 N -4.45 0.83 -0.09 0.00 4.77 0.40 -4.44 117.00 114.02 2npk n LEU 252 Ca -0.04 0.37 0.03 0.00 -0.03 0.00 0.00 56.01 56.34 2npk n LEU 252 Cb 0.36 0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.56 2npk n LEU 252 CO 0.41 0.23 0.13 0.54 -1.33 0.00 0.00 177.39 177.37 2npk n ARG 253 N -2.92 3.07 0.00 3.23 1.74 0.13 -5.03 116.66 116.88 2npk n ARG 253 Ca -0.12 -0.34 0.00 0.00 -0.77 0.00 0.00 57.85 56.61 2npk n ARG 253 Cb 0.91 -0.89 0.00 0.00 -1.02 0.00 0.00 32.46 31.46 2npk n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2npk n GLY 254 N 0.79 2.93 3.39 -0.13 0.00 -0.02 -4.96 105.19 107.19 2npk n GLY 254 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2npk n GLY 254 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2npk s LYS 255 N -0.43 1.08 0.81 1.61 -2.85 -1.25 -4.86 119.74 113.85 2npk s LYS 255 Ca 0.00 -0.32 -0.11 0.00 -1.00 0.00 0.00 55.97 54.54 2npk s LYS 255 Cb 0.00 0.49 0.09 0.00 -2.06 0.00 0.00 37.83 36.35 2npk s LYS 255 CO 0.00 -0.41 1.16 -1.25 0.10 0.00 0.00 175.35 174.96 2npk s PRO 256 N -2.78 1.85 0.05 1.78 0.04 -1.26 -3.91 135.00 130.77 2npk s PRO 256 Ca -0.03 -0.02 -0.00 0.00 0.04 0.00 0.00 61.00 60.98 2npk s PRO 256 Cb -0.00 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2npk s PRO 256 CO -0.04 -1.62 -0.04 -1.54 0.04 0.00 0.00 177.00 173.80 2npk s SER 257 N -4.60 0.53 0.14 6.66 1.04 -1.26 -5.02 113.70 111.19 2npk s SER 257 Ca 0.63 -0.90 -0.15 0.00 0.48 0.00 0.00 55.95 56.02 2npk s SER 257 Cb -0.10 0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.20 2npk s SER 257 CO 0.49 -0.52 1.68 0.25 0.98 0.00 0.00 173.24 176.12 2npk h LEU 258 N 3.44 0.65 -1.21 2.42 5.85 -1.99 -0.70 115.31 123.77 2npk h LEU 258 Ca -0.34 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 2npk h LEU 258 Cb 1.16 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 2npk h LEU 258 CO 0.61 0.66 0.26 0.25 -0.34 0.00 0.00 178.44 179.87 2npk h LEU 259 N 0.60 0.73 -0.47 2.25 5.85 -1.97 -0.93 115.31 121.37 2npk h LEU 259 Ca 0.15 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 2npk h LEU 259 Cb 0.22 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2npk h LEU 259 CO -0.01 0.63 0.06 1.23 -0.34 0.00 0.00 178.44 180.01 2npk h GLY 260 N 0.91 0.86 0.99 3.75 0.00 -1.84 -0.07 103.07 107.67 2npk h GLY 260 Ca 0.20 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2npk h GLY 260 CO -0.02 0.54 0.24 0.00 0.00 0.00 0.00 176.54 177.30 2npk h ALA 261 N 0.95 0.76 -0.45 3.60 0.00 -0.58 0.12 119.26 123.65 2npk h ALA 261 Ca 0.14 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2npk h ALA 261 Cb 0.42 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2npk h ALA 261 CO 0.01 0.36 -0.19 0.00 0.00 0.00 0.00 179.25 179.44 2npk h SER 263 N 0.78 0.71 -0.65 0.00 0.02 -0.77 -2.41 113.55 111.23 2npk h SER 263 Ca 0.11 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 2npk h SER 263 Cb 0.73 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 2npk h SER 263 CO 0.06 0.91 0.36 1.23 -1.14 0.00 0.00 176.83 178.24 2npk h GLY 264 N 0.98 0.96 0.88 -3.77 0.00 -0.80 0.61 103.07 101.93 2npk h GLY 264 Ca 0.09 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.99 2npk h GLY 264 CO 0.05 0.42 -0.05 0.00 0.00 0.00 0.00 176.54 176.96 2npk h ALA 265 N 1.17 -0.07 -0.74 3.60 0.00 -1.08 -1.56 119.26 120.58 2npk h ALA 265 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2npk h ALA 265 Cb 0.04 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2npk h ALA 265 CO -0.04 -0.55 0.43 0.82 0.00 0.00 0.00 179.25 179.92 2npk h ILE 266 N -0.10 1.21 -0.57 0.00 1.08 -1.20 -0.90 117.51 117.04 2npk h ILE 266 Ca 0.02 -0.48 -0.00 0.00 -0.39 0.00 0.00 64.86 64.01 2npk h ILE 266 Cb 0.12 0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.02 2npk h ILE 266 CO -0.05 0.22 0.34 0.00 -0.69 0.00 0.00 178.15 177.98 2npk h ALA 267 N 1.46 0.72 -0.37 1.87 0.00 -0.32 0.35 119.26 122.97 2npk h ALA 267 Ca 0.27 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 2npk h ALA 267 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2npk h ALA 267 CO -0.05 0.20 -0.20 0.78 0.00 0.00 0.00 179.25 179.98 2npk h GLY 268 N 0.76 0.85 0.96 0.00 0.00 -0.90 0.48 103.07 105.22 2npk h GLY 268 Ca 0.20 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 2npk h GLY 268 CO -0.04 0.71 0.11 1.41 0.00 0.00 0.00 176.54 178.74 2npk h LEU 269 N 0.58 0.24 -0.17 3.11 3.38 -0.96 -0.31 115.31 121.18 2npk h LEU 269 Ca 0.08 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2npk h LEU 269 Cb 0.76 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2npk h LEU 269 CO 0.06 0.23 -0.01 0.58 0.09 0.00 0.00 178.44 179.39 2npk h VAL 270 N 0.23 1.26 -0.89 1.22 2.07 -0.91 -2.20 116.25 117.03 2npk h VAL 270 Ca 0.07 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.76 2npk h VAL 270 Cb 0.04 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 2npk h VAL 270 CO -0.01 0.26 0.57 1.23 0.02 0.00 0.00 177.57 179.64 2npk h GLY 271 N 0.05 1.33 1.80 2.17 0.00 -0.71 -2.53 103.07 105.18 2npk h GLY 271 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2npk h GLY 271 CO 0.01 0.31 -0.13 1.55 0.00 0.00 0.00 176.54 178.28 2npk n VAL 272 N -4.57 0.35 -0.10 4.60 3.14 -0.14 -4.23 118.33 117.37 2npk n VAL 272 Ca 0.13 -0.18 -0.08 0.00 -2.96 0.00 0.00 64.34 61.25 2npk n VAL 272 Cb 0.15 -0.43 -0.02 0.00 -1.06 0.00 0.00 33.84 32.48 2npk n VAL 272 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 2npk h THR 273 N 0.00 0.25 0.00 1.55 2.02 -0.93 0.60 112.91 116.39 2npk h THR 273 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2npk h THR 273 Cb 0.65 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2npk h THR 273 CO 0.00 0.00 -0.11 1.55 0.37 0.00 0.00 175.52 177.33 2npk h PRO 274 N -0.26 0.00 0.00 6.66 0.13 -1.75 -1.52 132.00 135.26 2npk h PRO 274 Ca 0.17 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.15 2npk h PRO 274 Cb 0.53 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.63 2npk h PRO 274 CO -0.51 0.11 -1.87 0.00 -0.23 0.00 0.00 178.00 175.50 2npk n ALA 275 N -2.15 2.18 -0.34 -0.56 0.00 -0.75 -0.69 120.51 118.20 2npk n ALA 275 Ca 0.01 -0.73 0.15 0.00 0.00 0.00 0.00 53.44 52.87 2npk n ALA 275 Cb 0.43 -0.67 0.31 0.00 0.00 0.00 0.00 19.45 19.52 2npk n ALA 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2npk n GLY 277 N -1.48 0.13 0.00 0.00 0.00 -1.26 -3.72 105.19 98.86 2npk n GLY 277 Ca 0.24 -0.39 0.02 0.00 0.00 0.00 0.00 46.02 45.88 2npk n GLY 277 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2npk n TYR 278 N 0.20 0.00 -3.53 1.61 4.01 -0.33 -4.87 117.16 114.25 2npk n TYR 278 Ca 0.16 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.70 2npk n TYR 278 Cb 0.31 -0.06 -0.02 0.00 -0.31 0.00 0.00 39.34 39.25 2npk n TYR 278 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2npk s ILE 279 N -2.09 2.94 0.47 -0.72 -4.36 -1.02 -0.54 121.20 115.87 2npk s ILE 279 Ca -0.01 -1.28 -0.00 0.00 -0.26 0.00 0.00 60.65 59.10 2npk s ILE 279 Cb 0.02 -3.05 -0.00 0.00 1.25 0.00 0.00 42.46 40.68 2npk s ILE 279 CO 0.13 -0.04 0.70 -0.83 0.24 0.00 0.00 174.94 175.14 2npk s GLY 280 N -4.14 1.58 0.51 6.27 0.00 -1.12 -4.75 107.32 105.67 2npk s GLY 280 Ca 0.48 -1.02 0.21 0.00 0.00 0.00 0.00 44.72 44.38 2npk s GLY 280 CO 0.28 -0.84 2.03 -0.39 0.00 0.00 0.00 173.10 174.19 2npk h VAL 281 N 0.34 0.83 -0.35 1.40 -1.51 -1.93 0.00 116.25 115.03 2npk h VAL 281 Ca -0.46 -0.02 -0.05 0.00 -1.23 0.00 0.00 66.70 64.94 2npk h VAL 281 Cb 1.25 0.76 -0.01 0.00 -2.13 0.00 0.00 31.29 31.16 2npk h VAL 281 CO 0.58 0.01 0.03 1.23 -1.23 0.00 0.00 177.57 178.19 2npk h GLY 282 N 0.07 0.64 1.64 5.19 0.00 -1.94 -0.71 103.07 107.96 2npk h GLY 282 Ca 0.19 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 2npk h GLY 282 CO -0.01 0.41 -0.16 -1.33 0.00 0.00 0.00 176.54 175.45 2npk h GLY 283 N 0.42 0.46 1.17 4.60 0.00 -1.33 -1.94 103.07 106.45 2npk h GLY 283 Ca 0.10 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 2npk h GLY 283 CO 0.01 0.30 -0.24 0.00 0.00 0.00 0.00 176.54 176.61 2npk h ALA 284 N 1.45 0.72 -0.42 3.60 0.00 -0.69 -0.72 119.26 123.19 2npk h ALA 284 Ca 0.07 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2npk h ALA 284 Cb 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2npk h ALA 284 CO 0.03 0.67 0.06 1.25 0.00 0.00 0.00 179.25 181.26 2npk h LEU 285 N 0.80 0.68 -0.24 0.00 6.46 -0.81 -1.01 115.31 121.20 2npk h LEU 285 Ca 0.10 -0.27 -0.03 0.00 -0.12 0.00 0.00 57.88 57.56 2npk h LEU 285 Cb 0.81 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 2npk h LEU 285 CO 0.07 0.78 0.05 0.40 -0.62 0.00 0.00 178.44 179.11 2npk h ILE 286 N 0.56 1.22 -0.61 4.05 2.04 -1.24 -1.56 117.51 121.97 2npk h ILE 286 Ca 0.13 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 2npk h ILE 286 Cb 0.40 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2npk h ILE 286 CO 0.01 0.23 0.35 0.40 0.00 0.00 0.00 178.15 179.14 2npk h ILE 287 N 0.20 1.19 -0.11 -0.67 2.04 -1.09 -1.39 117.51 117.67 2npk h ILE 287 Ca 0.07 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.49 2npk h ILE 287 Cb 0.31 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2npk h ILE 287 CO 0.00 0.20 0.05 1.23 0.00 0.00 0.00 178.15 179.64 2npk h GLY 288 N 0.82 0.14 0.93 5.37 0.00 -1.06 0.39 103.07 109.68 2npk h GLY 288 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2npk h GLY 288 CO -0.04 0.03 -0.04 -2.08 0.00 0.00 0.00 176.54 174.41 2npk h VAL 289 N 0.12 0.90 -0.43 4.60 2.07 -1.03 -1.20 116.25 121.28 2npk h VAL 289 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2npk h VAL 289 Cb 0.01 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2npk h VAL 289 CO -0.03 0.00 0.24 0.58 0.02 0.00 0.00 177.57 178.38 2npk h VAL 290 N -0.09 1.15 -0.69 2.57 2.07 -1.12 -2.21 116.25 117.93 2npk h VAL 290 Ca 0.01 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.17 2npk h VAL 290 Cb 0.10 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 2npk h VAL 290 CO -0.02 0.15 0.45 0.00 0.02 0.00 0.00 177.57 178.18 2npk h ALA 291 N 1.10 0.88 -0.60 1.67 0.00 -0.04 0.12 119.26 122.39 2npk h ALA 291 Ca 0.15 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2npk h ALA 291 Cb 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2npk h ALA 291 CO -0.03 0.29 0.09 0.78 0.00 0.00 0.00 179.25 180.38 2npk h GLY 292 N 0.92 1.04 0.98 0.00 0.00 -1.02 0.15 103.07 105.15 2npk h GLY 292 Ca 0.26 -0.67 -0.18 0.00 0.00 0.00 0.00 47.33 46.73 2npk h GLY 292 CO -0.06 0.63 -0.63 1.41 0.00 0.00 0.00 176.54 177.88 2npk h LEU 293 N 0.91 0.73 -1.09 3.11 3.38 -1.06 -2.35 115.31 118.94 2npk h LEU 293 Ca 0.18 -0.66 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 2npk h LEU 293 Cb 0.41 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2npk h LEU 293 CO 0.01 1.27 -0.28 0.00 0.09 0.00 0.00 178.44 179.54 2npk h ALA 294 N 0.48 1.24 -0.17 1.53 0.00 -0.61 -1.11 119.26 120.61 2npk h ALA 294 Ca -0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2npk h ALA 294 Cb 1.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2npk h ALA 294 CO 0.13 0.51 -0.00 0.78 0.00 0.00 0.00 179.25 180.66 2npk h GLY 295 N 1.02 0.33 1.00 0.00 0.00 -0.69 0.28 103.07 105.01 2npk h GLY 295 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2npk h GLY 295 CO 0.05 0.22 0.33 -2.00 0.00 0.00 0.00 176.54 175.14 2npk h LEU 296 N 0.05 0.59 -0.53 3.11 5.85 -1.18 -0.27 115.31 122.92 2npk h LEU 296 Ca 0.05 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2npk h LEU 296 Cb 0.39 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2npk h LEU 296 CO 0.01 0.44 0.25 -0.25 -0.34 0.00 0.00 178.44 178.55 2npk h TRP 297 N 0.69 0.77 0.48 1.25 7.01 -1.08 -2.34 115.95 122.72 2npk h TRP 297 Ca 0.19 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 2npk h TRP 297 Cb -0.06 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.74 2npk h TRP 297 CO -0.04 0.60 -0.43 0.78 -2.79 0.00 0.00 178.44 176.56 2npk h GLY 298 N 0.72 -1.19 1.47 2.65 0.00 0.18 -0.74 103.07 106.15 2npk h GLY 298 Ca 0.18 0.54 0.04 0.00 0.00 0.00 0.00 47.33 48.09 2npk h GLY 298 CO -0.02 -0.37 0.28 -0.39 0.00 0.00 0.00 176.54 176.04 2npk h VAL 299 N -0.90 1.02 -0.48 4.60 -1.51 -1.10 0.17 116.25 118.05 2npk h VAL 299 Ca -0.06 -0.15 -0.03 0.00 -1.23 0.00 0.00 66.70 65.23 2npk h VAL 299 Cb 0.77 0.55 -0.02 0.00 -2.13 0.00 0.00 31.29 30.45 2npk h VAL 299 CO -0.03 0.08 0.19 0.74 -1.23 0.00 0.00 177.57 177.32 2npk h THR 300 N 0.43 1.21 -0.13 7.19 2.02 -1.12 -1.34 112.91 121.17 2npk h THR 300 Ca 0.17 -0.65 -0.23 0.00 0.77 0.00 0.00 66.41 66.47 2npk h THR 300 Cb 0.15 0.75 0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2npk h THR 300 CO -0.04 0.24 -0.81 0.24 0.37 0.00 0.00 175.52 175.53 2npk h MET 301 N 0.63 0.78 -0.53 6.66 2.86 -0.25 -3.03 114.93 122.06 2npk h MET 301 Ca 0.16 -0.66 -0.05 0.00 -2.06 0.00 0.00 59.70 57.09 2npk h MET 301 Cb 0.20 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 2npk h MET 301 CO -0.01 1.27 0.13 1.25 1.06 0.00 0.00 176.91 180.61 2npk h LEU 302 N 0.52 0.74 -1.33 1.22 5.85 -0.62 -1.59 115.31 120.09 2npk h LEU 302 Ca -0.06 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2npk h LEU 302 Cb 1.44 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 2npk h LEU 302 CO 0.17 0.72 -0.04 0.11 -0.34 0.00 0.00 178.44 179.06 2npk h LYS 303 N 0.77 0.00 -0.03 1.25 1.57 -1.27 0.15 116.57 119.01 2npk h LYS 303 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2npk h LYS 303 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2npk h LYS 303 CO -0.00 0.04 0.00 -2.13 -0.57 0.00 0.00 179.45 176.79 2npk n ARG 304 N -3.15 1.40 0.00 3.15 0.63 -0.61 -3.68 116.66 114.40 2npk n ARG 304 Ca 0.01 -0.58 0.00 0.00 -0.92 0.00 0.00 57.85 56.36 2npk n ARG 304 Cb 0.34 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 31.79 2npk n ARG 304 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2npk n LEU 305 N -0.28 0.00 0.00 6.15 4.32 -0.88 -5.09 117.00 121.22 2npk n LEU 305 Ca 0.20 -0.20 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2npk n LEU 305 Cb 0.25 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 2npk n LEU 305 CO 0.16 0.00 0.00 -0.11 -1.22 0.00 0.00 177.39 176.22 2npk n LEU 306 N -0.53 0.00 -1.43 2.23 0.00 -0.01 -5.10 117.00 112.16 2npk n LEU 306 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 56.01 56.03 2npk n LEU 306 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 43.42 43.50 2npk n LEU 306 CO 0.00 -0.13 0.14 -0.67 0.00 0.00 0.00 177.39 176.73 2npk n ASP 309 N 0.00 1.49 -4.04 1.96 4.64 0.32 -4.61 116.55 116.31 2npk n ASP 309 Ca 0.00 -2.64 -0.15 0.00 -1.38 0.00 0.00 54.79 50.63 2npk n ASP 309 Cb 0.00 -0.39 -0.12 0.00 -1.04 0.00 0.00 41.12 39.57 2npk n ASP 309 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 2npk s ASP 310 N -2.64 0.88 -0.83 1.67 1.01 -1.26 -4.77 116.67 110.73 2npk s ASP 310 Ca 0.35 -0.41 -0.25 0.00 0.71 0.00 0.00 52.55 52.96 2npk s ASP 310 Cb 0.38 -0.01 -0.05 0.00 1.01 0.00 0.00 42.92 44.25 2npk s ASP 310 CO -0.12 -0.10 1.98 -2.16 0.21 0.00 0.00 175.17 174.99 2npk s PRO 311 N -1.11 2.47 0.00 8.23 0.04 -1.26 -4.76 135.00 138.61 2npk s PRO 311 Ca -0.05 -0.01 0.18 0.00 0.04 0.00 0.00 61.00 61.16 2npk s PRO 311 Cb -0.07 -4.90 0.51 0.00 0.04 0.00 0.00 34.50 30.08 2npk s PRO 311 CO 0.00 -3.35 1.43 0.00 0.04 0.00 0.00 177.00 175.12 2npk h ASP 313 N 3.36 -0.73 -0.74 0.00 3.32 -1.98 -1.62 116.42 118.03 2npk h ASP 313 Ca 0.00 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2npk h ASP 313 Cb 0.76 0.38 -0.04 0.00 0.22 0.00 0.00 39.33 40.66 2npk h ASP 313 CO 0.00 -0.25 0.43 0.58 -1.72 0.00 0.00 179.24 178.29 2npk h VAL 314 N -0.15 1.22 -0.65 -1.35 2.07 -1.99 -1.33 116.25 114.06 2npk h VAL 314 Ca 0.19 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 2npk h VAL 314 Cb 0.44 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2npk h VAL 314 CO -0.48 0.23 0.12 -0.26 0.02 0.00 0.00 177.57 177.21 2npk h PHE 315 N 1.02 1.12 -0.09 1.57 0.04 -1.64 0.42 116.94 119.38 2npk h PHE 315 Ca 0.26 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 2npk h PHE 315 Cb -0.00 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 37.83 2npk h PHE 315 CO -0.01 0.93 -0.00 0.78 -0.60 0.00 0.00 178.31 179.41 2npk h GLY 316 N 1.05 0.18 0.79 -1.45 0.00 -1.18 -0.33 103.07 102.13 2npk h GLY 316 Ca 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 2npk h GLY 316 CO 0.01 0.12 -0.22 -2.08 0.00 0.00 0.00 176.54 174.37 2npk h VAL 317 N -0.12 0.50 -0.87 4.60 2.07 -1.10 -0.86 116.25 120.46 2npk h VAL 317 Ca 0.03 -0.34 0.09 0.00 0.82 0.00 0.00 66.70 67.29 2npk h VAL 317 Cb 0.35 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 2npk h VAL 317 CO 0.00 0.06 0.52 0.00 0.02 0.00 0.00 177.57 178.17 2npk h ALA 318 N -0.42 1.24 0.31 1.67 0.00 -0.20 0.13 119.26 121.99 2npk h ALA 318 Ca -0.06 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2npk h ALA 318 Cb 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2npk h ALA 318 CO 0.10 0.19 -0.15 0.78 0.00 0.00 0.00 179.25 180.17 2npk h GLY 319 N 0.89 -0.44 0.90 0.00 0.00 -1.05 -1.01 103.07 102.36 2npk h GLY 319 Ca 0.41 0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.87 2npk h GLY 319 CO -0.22 -0.16 0.07 -2.08 0.00 0.00 0.00 176.54 174.15 2npk h VAL 320 N -0.90 1.22 -0.00 4.60 2.07 -1.10 -2.21 116.25 119.93 2npk h VAL 320 Ca -0.04 -0.74 -0.12 0.00 0.82 0.00 0.00 66.70 66.62 2npk h VAL 320 Cb 0.52 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2npk h VAL 320 CO 0.07 0.24 -0.55 0.00 0.02 0.00 0.00 177.57 177.35 2npk h GLY 322 N 1.64 0.71 0.81 0.00 0.00 -1.07 0.12 103.07 105.28 2npk h GLY 322 Ca -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 2npk h GLY 322 CO 0.07 0.52 0.03 -2.22 0.00 0.00 0.00 176.54 174.94 2npk h ILE 323 N 0.45 1.20 -0.21 2.60 2.04 -1.27 0.12 117.51 122.44 2npk h ILE 323 Ca 0.09 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.35 2npk h ILE 323 Cb 0.55 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 2npk h ILE 323 CO 0.03 0.18 0.07 0.58 0.00 0.00 0.00 178.15 179.01 2npk h VAL 324 N -0.03 0.95 -0.63 1.67 2.07 -1.21 -0.54 116.25 118.52 2npk h VAL 324 Ca 0.03 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2npk h VAL 324 Cb 0.26 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2npk h VAL 324 CO 0.00 0.03 0.40 1.23 0.02 0.00 0.00 177.57 179.25 2npk h GLY 325 N 0.17 0.90 1.21 2.17 0.00 -0.63 -0.29 103.07 106.60 2npk h GLY 325 Ca 0.09 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 2npk h GLY 325 CO -0.10 0.34 -0.00 0.00 0.00 0.00 0.00 176.54 176.79 2npk h ILE 327 N 0.88 1.28 0.00 0.00 2.04 -0.87 -3.22 117.51 117.62 2npk h ILE 327 Ca 0.16 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 2npk h ILE 327 Cb 0.52 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 38.58 2npk h ILE 327 CO 0.03 0.27 -0.00 0.24 0.00 0.00 0.00 178.15 178.68 2npk h MET 328 N -0.52 0.00 -0.33 2.37 2.86 -0.99 0.04 114.93 118.35 2npk h MET 328 Ca -0.01 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 2npk h MET 328 Cb 0.48 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2npk h MET 328 CO 0.01 0.00 -0.23 1.15 1.06 0.00 0.00 176.91 178.90 2npk h THR 329 N 0.00 1.27 0.00 2.22 2.02 -1.35 0.36 112.91 117.43 2npk h THR 329 Ca -0.00 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 65.88 2npk h THR 329 Cb 0.03 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2npk h THR 329 CO 0.00 0.43 0.00 0.61 0.37 0.00 0.00 175.52 176.93 2npk n GLY 330 N -0.30 -0.89 0.49 2.16 0.00 -0.00 -2.51 105.19 104.13 2npk n GLY 330 Ca -0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 2npk n GLY 330 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2npk n ILE 331 N -1.38 1.31 0.93 -0.61 5.41 -0.79 -4.36 119.36 119.87 2npk n ILE 331 Ca 0.06 0.17 0.09 0.00 1.00 0.00 0.00 62.75 64.07 2npk n ILE 331 Cb 0.14 -1.98 0.48 0.00 -0.71 0.00 0.00 39.64 37.57 2npk n ILE 331 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2npk n PHE 332 N -4.01 0.00 0.38 1.39 3.72 0.05 -2.47 117.46 116.53 2npk n PHE 332 Ca -0.12 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.41 2npk n PHE 332 Cb 0.37 -0.23 0.40 0.00 -0.94 0.00 0.00 39.48 39.08 2npk n PHE 332 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2npk h ALA 333 N 2.93 1.00 -2.51 4.37 0.00 -1.69 -3.26 119.26 120.10 2npk h ALA 333 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2npk h ALA 333 Cb 0.14 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.02 2npk h ALA 333 CO 0.00 0.00 0.66 0.00 0.00 0.00 0.00 179.25 179.91 2npk n ALA 334 N -1.95 1.57 -0.20 0.00 0.00 -1.03 -0.10 120.51 118.80 2npk n ALA 334 Ca 0.03 0.39 -0.03 0.00 0.00 0.00 0.00 53.44 53.84 2npk n ALA 334 Cb 0.40 -2.32 0.08 0.00 0.00 0.00 0.00 19.45 17.61 2npk n ALA 334 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2npk h SER 335 N 3.92 0.45 0.00 0.00 0.02 -1.89 -0.50 113.55 115.55 2npk h SER 335 Ca -0.46 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2npk h SER 335 Cb 1.26 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2npk h SER 335 CO 0.73 0.30 0.03 0.77 -1.14 0.00 0.00 176.83 177.51 2npk h SER 336 N 0.59 0.00 -0.30 3.07 4.64 -1.90 -0.87 113.55 118.77 2npk h SER 336 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2npk h SER 336 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2npk h SER 336 CO -0.18 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.96 2npk n LEU 337 N -2.52 3.43 0.00 5.97 4.77 -0.60 -4.95 117.00 123.08 2npk n LEU 337 Ca -0.02 -2.53 0.00 0.00 -0.03 0.00 0.00 56.01 53.43 2npk n LEU 337 Cb 0.07 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2npk n LEU 337 CO 0.13 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 2npk n GLY 338 N -0.02 0.75 3.96 -0.72 0.00 -0.33 -4.56 105.19 104.26 2npk n GLY 338 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 2npk n GLY 338 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2npk s GLY 339 N -1.80 1.77 0.29 -0.02 0.00 -0.30 -2.77 107.32 104.49 2npk s GLY 339 Ca 0.00 -1.41 0.25 0.00 0.00 0.00 0.00 44.72 43.56 2npk s GLY 339 CO 0.00 -0.72 1.76 -0.39 0.00 0.00 0.00 173.10 173.75 2npk h VAL 340 N -1.22 0.00 0.00 1.40 -1.51 -0.80 -3.37 116.25 110.75 2npk h VAL 340 Ca -0.41 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 2npk h VAL 340 Cb 1.25 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 31.61 2npk h VAL 340 CO 0.39 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.34 2npk n GLY 341 N 0.39 2.33 3.75 5.19 0.00 0.86 -4.86 105.19 112.85 2npk n GLY 341 Ca 0.03 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 2npk n GLY 341 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2npk s PHE 342 N -1.45 2.48 0.91 1.61 0.08 -1.25 -4.88 117.98 115.48 2npk s PHE 342 Ca 0.00 1.10 -0.11 0.00 0.12 0.00 0.00 56.93 58.04 2npk s PHE 342 Cb 0.00 -3.21 0.14 0.00 -0.57 0.00 0.00 43.02 39.38 2npk s PHE 342 CO 0.00 -2.27 1.10 0.00 -0.10 0.00 0.00 175.22 173.95 2npk s ALA 343 N -3.07 1.38 0.24 5.36 0.00 -1.26 -4.89 121.76 119.51 2npk s ALA 343 Ca 0.63 0.16 -0.31 0.00 0.00 0.00 0.00 51.96 52.44 2npk s ALA 343 Cb -0.16 -3.28 -0.14 0.00 0.00 0.00 0.00 23.12 19.54 2npk s ALA 343 CO 0.55 -2.55 1.32 0.39 0.00 0.00 0.00 175.76 175.47 2npk n GLU 344 N -4.05 1.80 -1.23 0.00 1.02 -1.26 -2.20 120.64 114.73 2npk n GLU 344 Ca 0.08 0.64 -0.08 0.00 -0.02 0.00 0.00 57.16 57.78 2npk n GLU 344 Cb 0.54 -2.24 -0.03 0.00 -0.02 0.00 0.00 31.44 29.69 2npk n GLU 344 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2npk n GLY 345 N 1.94 0.94 3.31 0.62 0.00 -1.26 -5.01 105.19 105.73 2npk n GLY 345 Ca 0.12 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 2npk n GLY 345 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2npk s VAL 346 N -2.11 3.15 0.56 1.61 1.01 -0.93 -5.10 120.40 118.58 2npk s VAL 346 Ca 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 2npk s VAL 346 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.99 2npk s VAL 346 CO 0.00 0.46 0.86 0.42 0.00 0.00 0.00 175.10 176.85 2npk s THR 347 N 1.15 3.77 0.22 3.92 -4.23 -1.26 -4.73 115.64 114.48 2npk s THR 347 Ca 0.01 -0.05 -0.08 0.00 -1.18 0.00 0.00 61.69 60.39 2npk s THR 347 Cb -0.14 -3.48 0.17 0.00 1.34 0.00 0.00 72.50 70.38 2npk s THR 347 CO -0.02 -0.47 1.80 -0.03 -0.54 0.00 0.00 174.62 175.36 2npk h MET 348 N -0.07 1.19 -0.39 3.99 4.05 -1.98 -1.02 114.93 120.70 2npk h MET 348 Ca -0.46 -0.19 0.04 0.00 -0.28 0.00 0.00 59.70 58.81 2npk h MET 348 Cb 1.25 -0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 31.81 2npk h MET 348 CO 0.60 0.93 0.16 0.78 0.23 0.00 0.00 176.91 179.62 2npk h GLY 349 N 1.17 0.51 1.00 1.39 0.00 -1.94 0.43 103.07 105.63 2npk h GLY 349 Ca 0.28 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.43 2npk h GLY 349 CO -0.03 0.06 0.04 0.84 0.00 0.00 0.00 176.54 177.45 2npk h HIS 350 N 0.34 0.91 -0.58 5.60 6.17 -1.88 -2.41 115.15 123.31 2npk h HIS 350 Ca 0.17 -0.14 -0.04 0.00 0.71 0.00 0.00 60.37 61.07 2npk h HIS 350 Cb 0.12 -0.24 -0.03 0.00 2.52 0.00 0.00 27.41 29.78 2npk h HIS 350 CO -0.12 0.85 0.21 0.37 0.71 0.00 0.00 177.93 179.95 2npk h GLN 351 N 0.71 0.87 -0.92 5.26 5.75 -0.80 -2.00 115.11 123.98 2npk h GLN 351 Ca 0.14 -0.17 0.03 0.00 -0.15 0.00 0.00 58.65 58.51 2npk h GLN 351 Cb 0.46 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 28.82 2npk h GLN 351 CO 0.02 0.76 0.60 -0.07 -2.65 0.00 0.00 178.83 177.49 2npk h LEU 352 N 0.80 1.00 -0.74 -2.39 3.38 -0.83 0.80 115.31 117.32 2npk h LEU 352 Ca 0.19 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 2npk h LEU 352 Cb 0.23 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2npk h LEU 352 CO -0.01 0.68 0.35 0.25 0.09 0.00 0.00 178.44 179.80 2npk h LEU 353 N 1.16 0.98 -0.68 1.67 5.85 -1.08 -1.17 115.31 122.04 2npk h LEU 353 Ca 0.37 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.83 2npk h LEU 353 Cb 0.00 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 2npk h LEU 353 CO -0.12 0.84 -0.21 0.58 -0.34 0.00 0.00 178.44 179.19 2npk h VAL 354 N 1.05 1.27 -0.20 1.05 2.07 -0.60 -1.74 116.25 119.14 2npk h VAL 354 Ca 0.25 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 2npk h VAL 354 Cb 0.13 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2npk h VAL 354 CO -0.03 0.45 0.10 1.56 0.02 0.00 0.00 177.57 179.67 2npk h GLN 355 N 0.69 0.29 -0.86 1.57 1.08 -0.37 -1.50 115.11 116.01 2npk h GLN 355 Ca 0.10 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 2npk h GLN 355 Cb 0.73 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.06 2npk h GLN 355 CO 0.06 0.29 0.51 -0.07 -0.95 0.00 0.00 178.83 178.67 2npk h LEU 356 N 0.21 1.04 -1.00 1.46 3.38 -1.10 -1.72 115.31 117.58 2npk h LEU 356 Ca 0.07 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2npk h LEU 356 Cb 0.10 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2npk h LEU 356 CO -0.01 0.81 -0.11 -0.33 0.09 0.00 0.00 178.44 178.89 2npk h GLU 357 N 1.18 0.60 -0.38 1.13 5.08 -1.16 -0.08 114.58 120.95 2npk h GLU 357 Ca 0.31 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.34 2npk h GLU 357 Cb -0.03 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2npk h GLU 357 CO -0.06 0.70 -0.34 0.77 -1.00 0.00 0.00 179.01 179.08 2npk h SER 358 N 0.55 0.91 -0.10 1.42 0.02 -0.80 -1.67 113.55 113.88 2npk h SER 358 Ca 0.10 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 2npk h SER 358 Cb 0.51 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 2npk h SER 358 CO 0.03 1.16 -0.03 0.40 -1.14 0.00 0.00 176.83 177.25 2npk h ILE 359 N 0.72 1.30 -0.24 3.27 2.04 -1.06 -2.03 117.51 121.50 2npk h ILE 359 Ca 0.07 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 65.00 2npk h ILE 359 Cb 0.90 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.69 2npk h ILE 359 CO 0.08 0.27 -0.01 0.00 0.00 0.00 0.00 178.15 178.49 2npk h ALA 360 N 0.67 0.20 -0.88 1.87 0.00 -0.96 -0.94 119.26 119.22 2npk h ALA 360 Ca 0.02 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2npk h ALA 360 Cb 0.44 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2npk h ALA 360 CO 0.01 -0.43 0.47 0.82 0.00 0.00 0.00 179.25 180.12 2npk h ILE 361 N 0.06 1.26 -0.36 0.00 2.04 -1.32 -2.06 117.51 117.14 2npk h ILE 361 Ca 0.12 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 2npk h ILE 361 Cb 0.16 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 2npk h ILE 361 CO -0.21 0.30 -0.03 0.74 0.00 0.00 0.00 178.15 178.95 2npk h THR 362 N 1.24 1.27 0.16 -0.27 2.02 -1.00 -0.75 112.91 115.58 2npk h THR 362 Ca 0.31 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 2npk h THR 362 Cb 0.04 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2npk h THR 362 CO -0.05 0.35 -0.08 0.40 0.37 0.00 0.00 175.52 176.51 2npk h ILE 363 N 0.45 0.87 -0.06 3.11 2.04 -1.01 -1.43 117.51 121.48 2npk h ILE 363 Ca 0.10 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2npk h ILE 363 Cb 0.51 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2npk h ILE 363 CO 0.02 0.04 0.00 0.58 0.00 0.00 0.00 178.15 178.79 2npk h VAL 364 N -0.29 1.24 -0.13 1.67 2.07 -1.40 -1.54 116.25 117.87 2npk h VAL 364 Ca -0.02 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 66.78 2npk h VAL 364 Cb 0.23 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 2npk h VAL 364 CO 0.04 0.21 -0.03 -0.25 0.02 0.00 0.00 177.57 177.55 2npk h TRP 365 N -0.17 -0.07 -0.61 1.57 2.91 -1.17 -0.90 115.95 117.52 2npk h TRP 365 Ca 0.02 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.98 2npk h TRP 365 Cb 0.32 0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 29.00 2npk h TRP 365 CO 0.03 -0.05 0.13 1.03 -1.03 0.00 0.00 178.44 178.55 2npk h SER 366 N 0.00 0.95 -0.17 2.65 0.87 -1.30 -2.09 113.55 114.46 2npk h SER 366 Ca 0.06 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.36 2npk h SER 366 Cb 0.09 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 2npk h SER 366 CO -0.13 0.95 0.05 1.23 -0.53 0.00 0.00 176.83 178.40 2npk h GLY 367 N 0.91 0.28 0.93 5.77 0.00 -1.08 0.42 103.07 110.30 2npk h GLY 367 Ca 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2npk h GLY 367 CO 0.01 0.16 -0.08 -2.08 0.00 0.00 0.00 176.54 174.54 2npk h VAL 368 N 0.10 0.87 -0.64 4.60 2.07 -1.16 -0.37 116.25 121.71 2npk h VAL 368 Ca 0.05 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2npk h VAL 368 Cb 0.23 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2npk h VAL 368 CO -0.00 0.04 0.40 0.58 0.02 0.00 0.00 177.57 178.61 2npk h VAL 369 N -0.31 1.10 -0.28 2.57 2.07 -1.37 -1.19 116.25 118.84 2npk h VAL 369 Ca -0.02 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.24 2npk h VAL 369 Cb 0.24 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2npk h VAL 369 CO 0.04 0.15 0.15 0.00 0.02 0.00 0.00 177.57 177.93 2npk h ALA 370 N 1.27 0.34 -0.52 1.67 0.00 -0.77 0.12 119.26 121.37 2npk h ALA 370 Ca 0.25 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.23 2npk h ALA 370 Cb -0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2npk h ALA 370 CO -0.09 -0.23 0.23 0.35 0.00 0.00 0.00 179.25 179.50 2npk h PHE 371 N 0.31 0.40 -0.82 0.00 3.57 -0.56 0.26 116.94 120.11 2npk h PHE 371 Ca 0.11 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2npk h PHE 371 Cb 0.02 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 2npk h PHE 371 CO -0.09 0.16 0.48 0.82 -2.23 0.00 0.00 178.31 177.46 2npk h ILE 372 N 0.43 1.23 -0.16 1.41 2.04 -0.55 -0.73 117.51 121.18 2npk h ILE 372 Ca 0.24 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 2npk h ILE 372 Cb 0.22 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2npk h ILE 372 CO -0.21 0.25 0.07 1.23 0.00 0.00 0.00 178.15 179.49 2npk h GLY 373 N 1.13 0.26 1.02 5.37 0.00 0.17 0.63 103.07 111.65 2npk h GLY 373 Ca 0.29 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.43 2npk h GLY 373 CO -0.05 0.13 0.16 -0.97 0.00 0.00 0.00 176.54 175.81 2npk h TYR 374 N 0.12 1.01 -0.57 5.60 0.05 -0.83 -2.08 116.97 120.27 2npk h TYR 374 Ca 0.05 -0.12 -0.11 0.00 0.05 0.00 0.00 58.73 58.61 2npk h TYR 374 Cb 0.16 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 2npk h TYR 374 CO -0.02 0.84 -0.08 0.87 -1.05 0.00 0.00 178.16 178.73 2npk h LYS 375 N 0.88 1.06 -0.60 4.88 1.79 -1.02 -1.10 116.57 122.46 2npk h LYS 375 Ca 0.19 -0.38 -0.08 0.00 -2.18 0.00 0.00 60.65 58.20 2npk h LYS 375 Cb 0.34 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 2npk h LYS 375 CO -0.00 1.08 0.05 1.25 -1.08 0.00 0.00 179.45 180.75 2npk h LEU 376 N 0.95 0.99 -0.44 2.94 5.85 -0.75 -0.87 115.31 123.98 2npk h LEU 376 Ca 0.15 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2npk h LEU 376 Cb 0.65 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2npk h LEU 376 CO 0.05 1.03 0.18 0.00 -0.34 0.00 0.00 178.44 179.35 2npk h ALA 377 N 1.00 0.57 -0.63 1.25 0.00 -1.26 -0.84 119.26 119.35 2npk h ALA 377 Ca 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2npk h ALA 377 Cb 0.49 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2npk h ALA 377 CO 0.02 0.18 0.26 0.22 0.00 0.00 0.00 179.25 179.93 2npk h ASP 378 N 0.57 0.82 0.64 0.00 3.58 -0.96 0.25 116.42 121.32 2npk h ASP 378 Ca 0.15 -0.10 -0.18 0.00 0.42 0.00 0.00 57.03 57.31 2npk h ASP 378 Cb 0.19 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 2npk h ASP 378 CO -0.01 0.73 -0.83 -0.07 -2.88 0.00 0.00 179.24 176.18 2npk h LEU 379 N 0.90 0.17 0.00 2.28 3.38 -0.92 -2.87 115.31 118.24 2npk h LEU 379 Ca 0.21 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2npk h LEU 379 Cb 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2npk h LEU 379 CO -0.02 0.92 -0.05 0.74 0.09 0.00 0.00 178.44 180.12 2npk h THR 380 N 0.07 0.00 -0.00 0.22 2.02 -0.61 -3.44 112.91 111.18 2npk h THR 380 Ca -0.03 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.31 2npk h THR 380 Cb 1.44 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2npk h THR 380 CO 0.12 0.00 -0.13 1.33 0.37 0.00 0.00 175.52 177.21 2npk n VAL 381 N -4.34 0.00 -0.13 3.16 0.24 0.77 -5.09 118.33 112.95 2npk n VAL 381 Ca -0.01 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 2npk n VAL 381 Cb 0.02 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 2npk n VAL 381 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2npk n GLY 382 N 1.05 -0.66 0.22 7.63 0.00 -0.59 -4.98 105.19 107.86 2npk n GLY 382 Ca 0.01 -1.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 2npk n GLY 382 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2npk h LEU 383 N 0.00 -0.45 -9.66 0.99 3.38 -1.76 -3.43 115.31 104.38 2npk h LEU 383 Ca 0.00 0.02 -0.55 0.00 0.09 0.00 0.00 57.88 57.43 2npk h LEU 383 Cb 0.00 0.12 0.07 0.00 0.09 0.00 0.00 40.66 40.94 2npk h LEU 383 CO 0.00 -0.20 0.83 0.54 0.09 0.00 0.00 178.44 179.70 2npk n ARG 384 N -4.09 2.45 -1.68 1.13 1.74 -1.26 -0.96 116.66 113.99 2npk n ARG 384 Ca -0.07 0.88 -0.46 0.00 -0.77 0.00 0.00 57.85 57.44 2npk n ARG 384 Cb 0.21 -2.64 -0.04 0.00 -1.02 0.00 0.00 32.46 28.97 2npk n ARG 384 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2npk n VAL 385 N 2.68 0.11 0.30 1.55 3.14 -1.10 -4.47 118.33 120.55 2npk n VAL 385 Ca 0.12 -0.02 0.02 0.00 -2.96 0.00 0.00 64.34 61.51 2npk n VAL 385 Cb 0.34 -1.68 0.14 0.00 -1.06 0.00 0.00 33.84 31.58 2npk n VAL 385 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56