#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfp s THR 2 N 0.00 0.12 -0.11 2.03 -1.32 -1.26 -5.12 115.64 109.99 1nfp s THR 2 Ca 0.00 -1.11 -0.30 0.00 -1.21 0.00 0.00 61.69 59.07 1nfp s THR 2 Cb 0.00 -1.37 -0.02 0.00 -1.51 0.00 0.00 72.50 69.60 1nfp s THR 2 CO 0.00 -0.56 1.25 -0.75 -2.21 0.00 0.00 174.62 172.35 1nfp s LYS 3 N -3.86 4.28 0.07 7.08 2.20 -1.26 -4.99 119.74 123.25 1nfp s LYS 3 Ca 0.06 1.69 -0.20 0.00 -0.36 0.00 0.00 55.97 57.16 1nfp s LYS 3 Cb 0.04 -3.68 -0.07 0.00 -1.51 0.00 0.00 37.83 32.62 1nfp s LYS 3 CO -0.10 -0.60 0.60 -1.58 -0.36 0.00 0.00 175.35 173.31 1nfp s TRP 4 N 2.95 3.80 0.04 4.03 0.52 -1.26 -5.06 118.94 123.95 1nfp s TRP 4 Ca 0.56 1.30 0.03 0.00 0.02 0.00 0.00 56.10 58.01 1nfp s TRP 4 Cb -0.24 -2.55 -0.04 0.00 -1.15 0.00 0.00 33.47 29.50 1nfp s TRP 4 CO 0.18 0.54 0.00 -0.80 0.02 0.00 0.00 176.95 176.89 1nfp s ASN 5 N -0.95 5.07 0.16 2.95 0.01 -1.26 -5.04 114.94 115.89 1nfp s ASN 5 Ca 0.30 -0.09 0.08 0.00 -0.71 0.00 0.00 52.86 52.44 1nfp s ASN 5 Cb -0.20 -1.27 -0.04 0.00 0.41 0.00 0.00 41.25 40.15 1nfp s ASN 5 CO 0.19 0.23 -0.17 -0.31 -1.51 0.00 0.00 177.10 175.53 1nfp s TYR 6 N -1.20 1.73 0.04 2.20 2.02 -1.26 -0.41 117.35 120.48 1nfp s TYR 6 Ca 0.23 -0.50 -0.02 0.00 -0.37 0.00 0.00 57.07 56.41 1nfp s TYR 6 Cb -0.12 -0.86 0.01 0.00 -0.40 0.00 0.00 41.96 40.59 1nfp s TYR 6 CO 0.14 0.30 0.09 0.41 -1.57 0.00 0.00 175.55 174.92 1nfp n GLY 7 N 0.25 1.83 3.13 0.71 0.00 -0.59 -1.58 105.19 108.93 1nfp n GLY 7 Ca -0.13 -1.03 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 1nfp n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nfp s VAL 8 N -2.87 0.81 0.10 1.61 1.01 -0.40 -1.36 120.40 119.30 1nfp s VAL 8 Ca 0.02 -1.36 0.03 0.00 0.00 0.00 0.00 61.98 60.66 1nfp s VAL 8 Cb -0.01 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1nfp s VAL 8 CO 0.01 -0.43 -0.09 0.72 0.00 0.00 0.00 175.10 175.32 1nfp s PHE 9 N -1.83 1.00 -0.01 5.22 -0.71 -0.23 -1.69 117.98 119.73 1nfp s PHE 9 Ca -0.02 -0.76 0.06 0.00 -1.04 0.00 0.00 56.93 55.17 1nfp s PHE 9 Cb -0.07 -0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 41.17 1nfp s PHE 9 CO 0.00 -0.05 -0.20 -0.06 -1.34 0.00 0.00 175.22 173.57 1nfp s PHE 10 N -2.96 1.81 -0.28 3.49 0.08 -0.79 -4.23 117.98 115.10 1nfp s PHE 10 Ca 0.09 -0.34 -0.25 0.00 0.12 0.00 0.00 56.93 56.54 1nfp s PHE 10 Cb 0.01 -1.16 0.00 0.00 -0.57 0.00 0.00 43.02 41.30 1nfp s PHE 10 CO -0.02 -0.02 0.84 -1.17 -0.10 0.00 0.00 175.22 174.76 1nfp s LEU 11 N -0.54 4.07 -1.07 -0.37 2.96 -1.26 -0.27 118.68 122.19 1nfp s LEU 11 Ca 0.08 0.89 -0.16 0.00 -0.22 0.00 0.00 54.13 54.72 1nfp s LEU 11 Cb -0.08 -3.19 0.16 0.00 0.50 0.00 0.00 46.19 43.58 1nfp s LEU 11 CO -0.01 -0.60 1.28 0.21 -1.32 0.00 0.00 176.35 175.91 1nfp s ASN 12 N 1.49 6.87 -0.18 3.68 3.84 -0.60 -4.89 114.94 125.15 1nfp s ASN 12 Ca 0.35 -2.58 -0.14 0.00 0.21 0.00 0.00 52.86 50.70 1nfp s ASN 12 Cb -0.14 -2.39 0.05 0.00 -0.55 0.00 0.00 41.25 38.22 1nfp s ASN 12 CO 0.10 -0.87 0.46 0.12 -2.79 0.00 0.00 177.10 174.12 1nfp s PHE 13 N 1.98 -0.57 -0.09 0.43 5.36 -1.26 -4.87 117.98 118.95 1nfp s PHE 13 Ca 0.37 1.31 0.13 0.00 -0.96 0.00 0.00 56.93 57.79 1nfp s PHE 13 Cb -0.04 0.22 0.03 0.00 -0.34 0.00 0.00 43.02 42.89 1nfp s PHE 13 CO -0.05 -0.29 1.42 1.88 -1.46 0.00 0.00 175.22 176.73 1nfp h TYR 14 N 5.96 0.00 -3.49 10.12 0.05 -2.01 -3.43 116.97 124.18 1nfp h TYR 14 Ca -0.30 0.00 -0.70 0.00 0.05 0.00 0.00 58.73 57.78 1nfp h TYR 14 Cb 1.18 0.00 -0.34 0.00 1.01 0.00 0.00 36.73 38.59 1nfp h TYR 14 CO 0.34 0.60 -0.43 -1.01 -1.05 0.00 0.00 178.16 176.61 1nfp s HIS 15 N -2.93 3.50 -0.06 4.88 3.76 -1.26 -4.44 115.29 118.74 1nfp s HIS 15 Ca 0.03 -2.43 0.03 0.00 -0.15 0.00 0.00 55.06 52.54 1nfp s HIS 15 Cb 0.08 -3.28 0.01 0.00 1.11 0.00 0.00 32.58 30.50 1nfp s HIS 15 CO 0.76 -0.93 -0.14 0.14 -0.85 0.00 0.00 174.74 173.73 1nfp s VAL 16 N 0.67 1.23 -1.63 -0.90 -7.23 -1.26 -4.41 120.40 106.88 1nfp s VAL 16 Ca 0.12 -0.55 -0.10 0.00 -1.81 0.00 0.00 61.98 59.64 1nfp s VAL 16 Cb -0.22 -1.11 0.09 0.00 0.56 0.00 0.00 36.38 35.70 1nfp s VAL 16 CO -0.04 0.37 0.40 0.61 -0.31 0.00 0.00 175.10 176.14 1nfp n GLY 17 N 3.66 -0.28 2.33 2.32 0.00 -0.80 -0.83 105.19 111.60 1nfp n GLY 17 Ca -0.22 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 1nfp n GLY 17 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nfp n GLN 18 N -4.38 -2.03 -3.45 1.61 1.13 -1.26 -4.87 117.38 104.13 1nfp n GLN 18 Ca -0.13 0.61 -0.34 0.00 -1.94 0.00 0.00 57.00 55.20 1nfp n GLN 18 Cb 0.59 -5.13 -0.05 0.00 0.11 0.00 0.00 30.24 25.76 1nfp n GLN 18 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1nfp s GLN 19 N -4.60 3.85 0.43 -1.09 -0.21 -0.01 -5.05 119.66 112.98 1nfp s GLN 19 Ca 0.00 0.32 -0.23 0.00 0.02 0.00 0.00 55.36 55.47 1nfp s GLN 19 Cb 0.00 -2.86 -0.09 0.00 1.00 0.00 0.00 33.01 31.06 1nfp s GLN 19 CO 0.00 0.45 1.04 -1.21 -2.12 0.00 0.00 175.29 173.45 1nfp s GLU 20 N -2.23 4.04 0.30 2.91 8.01 -1.26 -4.52 118.70 125.95 1nfp s GLU 20 Ca 0.40 1.45 0.06 0.00 0.01 0.00 0.00 54.97 56.88 1nfp s GLU 20 Cb -0.13 -2.38 0.79 0.00 -4.31 0.00 0.00 34.13 28.10 1nfp s GLU 20 CO 0.20 -0.24 1.70 -1.35 0.01 0.00 0.00 175.26 175.59 1nfp h PRO 21 N 2.16 0.44 0.00 0.39 0.11 -1.97 0.54 132.00 133.67 1nfp h PRO 21 Ca -0.49 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1nfp h PRO 21 Cb 1.22 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1nfp h PRO 21 CO 0.61 0.29 -0.20 0.66 -0.21 0.00 0.00 178.00 179.15 1nfp h SER 22 N 0.45 0.00 -0.04 -2.05 4.64 -1.95 0.24 113.55 114.85 1nfp h SER 22 Ca 0.59 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.86 1nfp h SER 22 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1nfp h SER 22 CO -0.52 0.20 -0.17 0.25 -0.87 0.00 0.00 176.83 175.72 1nfp h LEU 23 N 0.00 0.21 -0.62 5.97 6.46 -1.28 -0.97 115.31 125.09 1nfp h LEU 23 Ca -0.00 -0.66 0.04 0.00 -0.12 0.00 0.00 57.88 57.14 1nfp h LEU 23 Cb 0.59 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.41 1nfp h LEU 23 CO 0.03 0.84 0.36 0.74 -0.62 0.00 0.00 178.44 179.78 1nfp h THR 24 N -0.40 1.02 -0.10 1.05 2.02 -1.18 -0.14 112.91 115.18 1nfp h THR 24 Ca -0.01 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 66.95 1nfp h THR 24 Cb 0.83 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1nfp h THR 24 CO 0.04 0.13 -0.00 -0.03 0.37 0.00 0.00 175.52 176.02 1nfp h MET 25 N 0.69 0.03 -0.76 6.66 1.85 -0.95 -1.12 114.93 121.33 1nfp h MET 25 Ca 0.26 -0.00 0.02 0.00 -0.61 0.00 0.00 59.70 59.37 1nfp h MET 25 Cb 0.10 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.08 1nfp h MET 25 CO -0.14 0.02 0.49 1.03 -0.40 0.00 0.00 176.91 177.92 1nfp h SER 26 N 0.03 0.83 -0.61 1.39 0.87 -0.76 -0.56 113.55 114.74 1nfp h SER 26 Ca 0.04 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1nfp h SER 26 Cb 0.05 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 1nfp h SER 26 CO -0.08 0.59 0.29 0.78 -0.53 0.00 0.00 176.83 177.88 1nfp h ASN 27 N 0.98 0.81 -0.79 6.23 2.35 -0.77 -2.51 115.58 121.88 1nfp h ASN 27 Ca 0.29 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.86 1nfp h ASN 27 Cb -0.05 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.07 1nfp h ASN 27 CO -0.09 0.72 0.34 0.00 -1.65 0.00 0.00 177.43 176.75 1nfp h ALA 28 N 1.12 1.03 0.00 -0.83 0.00 -0.73 -2.43 119.26 117.42 1nfp h ALA 28 Ca 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1nfp h ALA 28 Cb 0.13 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1nfp h ALA 28 CO -0.03 0.64 -0.10 -0.07 0.00 0.00 0.00 179.25 179.69 1nfp h LEU 29 N 1.14 0.00 -0.44 0.00 3.38 -0.70 -1.57 115.31 117.11 1nfp h LEU 29 Ca 0.27 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.08 1nfp h LEU 29 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1nfp h LEU 29 CO -0.03 0.10 -0.44 -0.08 0.09 0.00 0.00 178.44 178.09 1nfp h GLU 30 N 0.00 0.82 -0.39 1.13 4.57 -1.04 -0.85 114.58 118.81 1nfp h GLU 30 Ca -0.00 -0.45 -0.01 0.00 -1.18 0.00 0.00 59.36 57.72 1nfp h GLU 30 Cb 0.19 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1nfp h GLU 30 CO 0.01 1.09 0.20 1.15 -1.18 0.00 0.00 179.01 180.27 1nfp h THR 31 N 0.66 1.17 -0.54 0.32 2.02 -0.92 -0.12 112.91 115.49 1nfp h THR 31 Ca 0.04 -0.46 0.03 0.00 0.77 0.00 0.00 66.41 66.79 1nfp h THR 31 Cb 1.01 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 1nfp h THR 31 CO 0.10 0.18 0.32 -0.07 0.37 0.00 0.00 175.52 176.41 1nfp h LEU 32 N 0.50 0.51 -0.68 2.58 3.38 -1.22 -1.75 115.31 118.61 1nfp h LEU 32 Ca 0.14 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1nfp h LEU 32 Cb 0.10 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1nfp h LEU 32 CO -0.02 0.35 0.43 -0.09 0.09 0.00 0.00 178.44 179.20 1nfp h ARG 33 N 0.63 0.82 -0.48 1.13 2.43 -0.66 -1.39 114.38 116.86 1nfp h ARG 33 Ca 0.22 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 1nfp h ARG 33 Cb 0.05 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1nfp h ARG 33 CO -0.11 0.54 -0.02 0.82 -1.51 0.00 0.00 179.97 179.69 1nfp h ILE 34 N 0.84 1.25 -0.13 1.20 2.04 -0.45 -1.29 117.51 120.97 1nfp h ILE 34 Ca 0.27 -1.04 -0.11 0.00 1.00 0.00 0.00 64.86 64.99 1nfp h ILE 34 Cb 0.01 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1nfp h ILE 34 CO -0.10 0.36 -0.40 0.40 0.00 0.00 0.00 178.15 178.41 1nfp h ILE 35 N 0.74 1.31 0.15 -0.67 2.04 -0.95 -0.60 117.51 119.54 1nfp h ILE 35 Ca 0.14 -1.51 -0.33 0.00 1.00 0.00 0.00 64.86 64.16 1nfp h ILE 35 Cb 0.48 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1nfp h ILE 35 CO 0.02 0.46 -1.68 -0.78 0.00 0.00 0.00 178.15 176.17 1nfp h ASP 36 N 0.24 0.51 0.00 1.72 3.58 -1.07 -3.40 116.42 118.00 1nfp h ASP 36 Ca 0.02 -0.91 -0.30 0.00 0.42 0.00 0.00 57.03 56.26 1nfp h ASP 36 Cb 0.82 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 41.65 1nfp h ASP 36 CO 0.06 1.75 -2.15 -0.62 -2.88 0.00 0.00 179.24 175.40 1nfp n GLU 37 N -3.69 0.96 0.01 0.28 1.02 -0.50 -4.76 120.64 113.95 1nfp n GLU 37 Ca -0.26 0.05 0.11 0.00 -0.02 0.00 0.00 57.16 57.04 1nfp n GLU 37 Cb 1.01 -1.42 -0.12 0.00 -0.02 0.00 0.00 31.44 30.90 1nfp n GLU 37 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1nfp n ASP 38 N -2.84 0.38 -3.73 1.62 8.00 -0.31 -5.03 116.55 114.64 1nfp n ASP 38 Ca -0.31 -0.22 -0.16 0.00 0.71 0.00 0.00 54.79 54.81 1nfp n ASP 38 Cb 0.96 1.47 -0.09 0.00 -0.02 0.00 0.00 41.12 43.45 1nfp n ASP 38 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1nfp s THR 39 N -3.34 0.00 0.00 -3.53 -4.23 -0.72 -4.92 115.64 98.89 1nfp s THR 39 Ca -0.02 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1nfp s THR 39 Cb 0.14 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1nfp s THR 39 CO 0.87 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 173.41 1nfp n SER 40 N -0.95 1.19 0.24 3.99 3.41 -1.26 -4.66 113.62 115.58 1nfp n SER 40 Ca 0.04 -0.08 0.14 0.00 -0.26 0.00 0.00 58.87 58.71 1nfp n SER 40 Cb 0.64 0.41 0.40 0.00 -0.26 0.00 0.00 64.21 65.40 1nfp n SER 40 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1nfp h ILE 41 N 0.00 0.07 -1.56 -1.33 3.07 -1.92 -3.42 117.51 112.43 1nfp h ILE 41 Ca 0.00 -0.85 -0.58 0.00 1.55 0.00 0.00 64.86 64.98 1nfp h ILE 41 Cb 0.00 1.79 -0.09 0.00 -0.27 0.00 0.00 36.82 38.25 1nfp h ILE 41 CO 0.00 0.03 1.34 -0.31 -1.05 0.00 0.00 178.15 178.16 1nfp s TYR 42 N -3.42 2.43 0.11 0.16 2.02 -1.26 -4.25 117.35 113.14 1nfp s TYR 42 Ca 0.04 -0.54 -0.11 0.00 -0.37 0.00 0.00 57.07 56.09 1nfp s TYR 42 Cb 0.07 -4.67 -0.13 0.00 -0.40 0.00 0.00 41.96 36.83 1nfp s TYR 42 CO 0.62 -1.99 1.31 0.38 -1.57 0.00 0.00 175.55 174.30 1nfp h ASP 43 N 9.92 0.86 -5.19 2.29 3.04 -1.55 -3.47 116.42 122.31 1nfp h ASP 43 Ca 0.03 -0.58 -0.12 0.00 -3.24 0.00 0.00 57.03 53.11 1nfp h ASP 43 Cb 1.02 -0.26 -0.16 0.00 -1.04 0.00 0.00 39.33 38.90 1nfp h ASP 43 CO 1.37 1.38 -0.63 0.68 -2.04 0.00 0.00 179.24 180.00 1nfp s VAL 44 N -3.66 0.19 0.02 4.15 -7.23 -1.26 -4.96 120.40 107.66 1nfp s VAL 44 Ca -0.09 -1.60 0.07 0.00 -1.81 0.00 0.00 61.98 58.55 1nfp s VAL 44 Cb 0.09 -1.33 -0.02 0.00 0.56 0.00 0.00 36.38 35.68 1nfp s VAL 44 CO 0.90 -0.88 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.90 1nfp s VAL 45 N -3.57 1.76 0.23 1.32 1.01 -1.26 -1.28 120.40 118.60 1nfp s VAL 45 Ca 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.88 1nfp s VAL 45 Cb 0.05 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1nfp s VAL 45 CO -0.09 0.32 0.14 0.00 0.00 0.00 0.00 175.10 175.48 1nfp s ALA 46 N -0.70 1.36 0.04 5.51 0.00 -0.68 -4.86 121.76 122.43 1nfp s ALA 46 Ca 0.08 -1.76 0.09 0.00 0.00 0.00 0.00 51.96 50.37 1nfp s ALA 46 Cb -0.09 1.34 -0.03 0.00 0.00 0.00 0.00 23.12 24.35 1nfp s ALA 46 CO 0.01 -0.58 -0.25 -0.06 0.00 0.00 0.00 175.76 174.89 1nfp s PHE 47 N -4.00 2.17 -0.34 0.00 0.08 -1.26 -1.88 117.98 112.75 1nfp s PHE 47 Ca 0.39 -0.40 -0.16 0.00 0.12 0.00 0.00 56.93 56.88 1nfp s PHE 47 Cb 0.07 -1.31 -0.01 0.00 -0.57 0.00 0.00 43.02 41.19 1nfp s PHE 47 CO 0.14 0.10 0.39 0.45 -0.10 0.00 0.00 175.22 176.21 1nfp s SER 48 N -1.17 6.21 0.00 1.36 0.15 0.63 -4.91 113.70 115.97 1nfp s SER 48 Ca 0.10 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1nfp s SER 48 Cb -0.10 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1nfp s SER 48 CO 0.02 -0.35 0.86 -0.62 1.20 0.00 0.00 173.24 174.34 1nfp n GLU 49 N 5.45 0.00 0.00 5.44 1.02 -1.26 -1.56 120.64 129.73 1nfp n GLU 49 Ca -0.08 -0.83 0.06 0.00 -0.02 0.00 0.00 57.16 56.30 1nfp n GLU 49 Cb 0.49 -0.46 0.37 0.00 -0.02 0.00 0.00 31.44 31.82 1nfp n GLU 49 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1nfp n HIS 50 N 0.00 0.00 0.88 -0.32 1.44 -1.26 -2.69 115.22 113.27 1nfp n HIS 50 Ca 0.00 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.85 1nfp n HIS 50 Cb 0.65 0.00 0.52 0.00 0.12 0.00 0.00 29.99 31.27 1nfp n HIS 50 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1nfp n HIS 51 N -0.71 0.29 -3.93 -1.40 1.44 -1.26 -4.77 115.22 104.88 1nfp n HIS 51 Ca 0.09 0.08 -0.35 0.00 -2.01 0.00 0.00 57.72 55.54 1nfp n HIS 51 Cb 0.04 -0.62 -0.08 0.00 0.12 0.00 0.00 29.99 29.45 1nfp n HIS 51 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1nfp s ILE 52 N -3.04 5.10 0.01 0.61 -1.09 -1.09 -4.99 121.20 116.71 1nfp s ILE 52 Ca 0.13 0.07 -0.30 0.00 -2.23 0.00 0.00 60.65 58.31 1nfp s ILE 52 Cb 0.17 -3.28 -0.04 0.00 -1.58 0.00 0.00 42.46 37.73 1nfp s ILE 52 CO 0.57 0.51 1.13 -0.62 -1.23 0.00 0.00 174.94 175.30 1nfp s ASP 53 N -0.09 7.15 -0.69 3.58 2.15 -1.26 -4.97 116.67 122.54 1nfp s ASP 53 Ca 0.08 1.85 0.02 0.00 0.43 0.00 0.00 52.55 54.94 1nfp s ASP 53 Cb -0.12 -2.57 0.17 0.00 -0.30 0.00 0.00 42.92 40.10 1nfp s ASP 53 CO 0.01 -0.44 0.49 -0.54 -0.17 0.00 0.00 175.17 174.52 1nfp s LYS 54 N 1.36 2.55 0.20 4.34 1.02 -1.26 -5.06 119.74 122.88 1nfp s LYS 54 Ca 0.56 -3.00 0.09 0.00 0.02 0.00 0.00 55.97 53.63 1nfp s LYS 54 Cb -0.26 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.43 1nfp s LYS 54 CO 0.27 -1.22 -0.18 -1.12 -0.92 0.00 0.00 175.35 172.18 1nfp s SER 55 N -0.47 2.83 0.78 2.83 0.01 -1.26 -0.50 113.70 117.92 1nfp s SER 55 Ca 0.22 -0.94 -0.06 0.00 1.31 0.00 0.00 55.95 56.48 1nfp s SER 55 Cb -0.13 -0.18 0.13 0.00 0.21 0.00 0.00 66.02 66.05 1nfp s SER 55 CO -0.09 -0.06 1.08 -0.31 0.41 0.00 0.00 173.24 174.27 1nfp s TYR 56 N -2.41 1.88 0.42 2.43 1.51 0.60 -4.91 117.35 116.88 1nfp s TYR 56 Ca 0.20 0.03 0.15 0.00 -1.01 0.00 0.00 57.07 56.44 1nfp s TYR 56 Cb -0.04 -3.34 0.95 0.00 -0.11 0.00 0.00 41.96 39.42 1nfp s TYR 56 CO 0.08 -1.89 1.95 -0.91 -1.11 0.00 0.00 175.55 173.67 1nfp h ASN 57 N -0.83 0.00 -0.45 2.29 -0.26 -2.01 -2.71 115.58 111.60 1nfp h ASN 57 Ca -0.40 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.34 1nfp h ASN 57 Cb 1.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.53 1nfp h ASN 57 CO 0.44 0.23 0.00 -0.90 -1.06 0.00 0.00 177.43 176.14 1nfp n ASP 58 N -4.22 2.75 0.00 5.81 5.68 -1.26 -4.90 116.55 120.41 1nfp n ASP 58 Ca -0.02 -2.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.17 1nfp n ASP 58 Cb 0.29 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 1nfp n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1nfp n GLU 59 N 0.78 0.00 -1.97 0.11 4.71 -1.02 -5.03 120.64 118.22 1nfp n GLU 59 Ca 0.16 0.00 -0.32 0.00 -0.01 0.00 0.00 57.16 56.99 1nfp n GLU 59 Cb 0.47 -2.59 0.01 0.00 -1.01 0.00 0.00 31.44 28.32 1nfp n GLU 59 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1nfp s THR 60 N -3.20 4.36 0.11 2.62 -4.23 -1.26 -4.82 115.64 109.21 1nfp s THR 60 Ca 0.00 0.92 0.06 0.00 -1.18 0.00 0.00 61.69 61.49 1nfp s THR 60 Cb 0.00 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 1nfp s THR 60 CO 0.00 -0.86 -0.05 -0.54 -0.54 0.00 0.00 174.62 172.63 1nfp s LYS 61 N -4.67 2.31 0.32 3.99 -0.14 -1.26 -0.29 119.74 120.00 1nfp s LYS 61 Ca 0.58 -0.96 -0.29 0.00 -1.36 0.00 0.00 55.97 53.94 1nfp s LYS 61 Cb -0.12 -2.40 -0.11 0.00 -1.68 0.00 0.00 37.83 33.52 1nfp s LYS 61 CO 0.45 0.52 1.49 -1.17 -0.76 0.00 0.00 175.35 175.88 1nfp s LEU 62 N -2.32 4.35 0.13 3.17 2.96 0.35 -4.91 118.68 122.41 1nfp s LEU 62 Ca 0.24 2.90 -0.31 0.00 -0.22 0.00 0.00 54.13 56.74 1nfp s LEU 62 Cb -0.11 -3.65 -0.08 0.00 0.50 0.00 0.00 46.19 42.85 1nfp s LEU 62 CO 0.16 -0.81 1.36 0.00 -1.32 0.00 0.00 176.35 175.73 1nfp s ALA 63 N -0.54 3.56 -1.52 5.97 0.00 -1.26 -4.89 121.76 123.08 1nfp s ALA 63 Ca 0.57 1.09 -0.10 0.00 0.00 0.00 0.00 51.96 53.53 1nfp s ALA 63 Cb -0.45 -3.52 -0.10 0.00 0.00 0.00 0.00 23.12 19.05 1nfp s ALA 63 CO 0.53 -0.58 2.96 -0.35 0.00 0.00 0.00 175.76 178.32 1nfp n PRO 64 N 3.66 3.55 -3.13 0.00 -0.04 -1.26 -4.92 135.00 132.86 1nfp n PRO 64 Ca 0.10 -2.11 -0.38 0.00 -0.04 0.00 0.00 63.50 61.08 1nfp n PRO 64 Cb 0.43 -2.74 -0.06 0.00 -0.04 0.00 0.00 33.50 31.08 1nfp n PRO 64 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1nfp s PHE 65 N 2.17 3.77 -0.05 0.54 0.08 -1.26 -0.70 117.98 122.53 1nfp s PHE 65 Ca 0.68 1.41 0.00 0.00 0.12 0.00 0.00 56.93 59.14 1nfp s PHE 65 Cb 0.18 -2.61 0.03 0.00 -0.57 0.00 0.00 43.02 40.05 1nfp s PHE 65 CO -0.06 0.47 -0.02 0.08 -0.10 0.00 0.00 175.22 175.60 1nfp s VAL 66 N -1.29 0.37 -0.09 -0.44 1.01 0.41 -4.92 120.40 115.44 1nfp s VAL 66 Ca 0.36 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 1nfp s VAL 66 Cb -0.19 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 1nfp s VAL 66 CO 0.22 0.21 0.26 -0.55 0.00 0.00 0.00 175.10 175.24 1nfp s SER 67 N 1.25 6.53 -0.41 3.32 0.15 -1.26 -0.04 113.70 123.23 1nfp s SER 67 Ca -0.06 0.63 0.04 0.00 0.70 0.00 0.00 55.95 57.25 1nfp s SER 67 Cb -0.13 -2.15 0.11 0.00 -1.71 0.00 0.00 66.02 62.13 1nfp s SER 67 CO -0.02 0.30 0.14 -0.76 1.20 0.00 0.00 173.24 174.10 1nfp s LEU 68 N -0.65 4.53 0.00 3.45 1.43 0.10 -4.95 118.68 122.60 1nfp s LEU 68 Ca 0.18 -2.51 0.00 0.00 -1.03 0.00 0.00 54.13 50.76 1nfp s LEU 68 Cb -0.14 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.46 1nfp s LEU 68 CO 0.07 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.94 1nfp n GLY 69 N 3.78 2.45 0.59 -3.19 0.00 -1.26 -2.15 105.19 105.40 1nfp n GLY 69 Ca 0.04 -0.28 0.06 0.00 0.00 0.00 0.00 46.02 45.85 1nfp n GLY 69 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1nfp n LYS 70 N 9.40 1.70 -3.51 1.61 2.85 -1.26 -4.99 118.16 123.95 1nfp n LYS 70 Ca 0.00 -1.63 -0.37 0.00 -1.05 0.00 0.00 58.31 55.25 1nfp n LYS 70 Cb 0.00 -1.26 -0.08 0.00 -0.65 0.00 0.00 35.03 33.03 1nfp n LYS 70 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1nfp s GLN 71 N -1.01 4.14 -0.20 -1.58 -1.52 -0.91 -5.08 119.66 113.50 1nfp s GLN 71 Ca 0.19 -0.00 -0.13 0.00 -1.95 0.00 0.00 55.36 53.47 1nfp s GLN 71 Cb 0.12 -3.53 -0.05 0.00 -0.22 0.00 0.00 33.01 29.33 1nfp s GLN 71 CO 0.16 0.03 0.27 0.42 -0.25 0.00 0.00 175.29 175.93 1nfp s ILE 72 N 1.12 5.29 0.23 1.08 -1.09 -1.26 0.03 121.20 126.60 1nfp s ILE 72 Ca 0.14 0.46 0.11 0.00 -2.23 0.00 0.00 60.65 59.13 1nfp s ILE 72 Cb -0.14 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 1nfp s ILE 72 CO 0.06 0.33 -0.18 -1.00 -1.23 0.00 0.00 174.94 172.92 1nfp s HIS 73 N 0.94 2.40 -0.16 3.97 3.76 0.94 -4.24 115.29 122.90 1nfp s HIS 73 Ca 0.14 -0.31 -0.03 0.00 -0.15 0.00 0.00 55.06 54.71 1nfp s HIS 73 Cb -0.14 -1.12 -0.02 0.00 1.11 0.00 0.00 32.58 32.41 1nfp s HIS 73 CO 0.05 0.59 -0.05 0.08 -0.85 0.00 0.00 174.74 174.55 1nfp s VAL 74 N -2.01 3.68 0.11 -0.90 1.01 -0.18 -0.44 120.40 121.66 1nfp s VAL 74 Ca 0.26 -0.42 -0.31 0.00 0.00 0.00 0.00 61.98 61.50 1nfp s VAL 74 Cb -0.07 -2.62 -0.09 0.00 0.00 0.00 0.00 36.38 33.61 1nfp s VAL 74 CO 0.13 0.48 1.58 -0.22 0.00 0.00 0.00 175.10 177.07 1nfp s LEU 75 N 0.58 4.36 -1.32 3.92 2.96 0.13 -0.94 118.68 128.37 1nfp s LEU 75 Ca -0.04 2.50 -0.17 0.00 -0.22 0.00 0.00 54.13 56.20 1nfp s LEU 75 Cb -0.15 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 43.01 1nfp s LEU 75 CO 0.03 -0.83 1.88 0.00 -1.32 0.00 0.00 176.35 176.11 1nfp n ALA 76 N 4.77 3.92 0.41 5.97 0.00 0.23 -4.72 120.51 131.08 1nfp n ALA 76 Ca 0.14 -3.78 0.12 0.00 0.00 0.00 0.00 53.44 49.92 1nfp n ALA 76 Cb 0.40 -3.58 0.16 0.00 0.00 0.00 0.00 19.45 16.43 1nfp n ALA 76 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1nfp h THR 77 N 5.19 0.00 -1.73 0.00 1.35 -1.89 -3.44 112.91 112.39 1nfp h THR 77 Ca 0.46 -0.70 0.22 0.00 -0.55 0.00 0.00 66.41 65.85 1nfp h THR 77 Cb 0.81 1.38 -0.17 0.00 -1.73 0.00 0.00 68.15 68.45 1nfp h THR 77 CO 1.57 0.00 0.71 -0.94 -0.25 0.00 0.00 175.52 176.61 1nfp s SER 78 N -4.87 -0.19 0.24 5.36 1.04 -1.26 -5.00 113.70 109.03 1nfp s SER 78 Ca 0.05 -0.04 -0.06 0.00 0.48 0.00 0.00 55.95 56.39 1nfp s SER 78 Cb 0.11 0.23 0.30 0.00 0.10 0.00 0.00 66.02 66.75 1nfp s SER 78 CO 0.71 -0.38 1.88 -0.65 0.98 0.00 0.00 173.24 175.79 1nfp h PRO 79 N 2.00 1.08 -0.70 4.02 0.11 -1.97 -1.60 132.00 134.95 1nfp h PRO 79 Ca -0.16 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.85 1nfp h PRO 79 Cb 1.19 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 1nfp h PRO 79 CO 0.26 0.71 0.28 0.93 -0.21 0.00 0.00 178.00 179.98 1nfp h GLU 80 N 1.11 1.02 -0.36 1.05 3.07 -2.00 -1.83 114.58 116.64 1nfp h GLU 80 Ca 0.37 -0.17 -0.12 0.00 -0.50 0.00 0.00 59.36 58.93 1nfp h GLU 80 Cb 0.04 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 1nfp h GLU 80 CO -0.13 0.83 -0.27 1.15 -1.40 0.00 0.00 179.01 179.19 1nfp h THR 81 N 1.01 1.28 -0.15 1.13 2.02 -1.84 -2.49 112.91 113.86 1nfp h THR 81 Ca 0.24 -1.40 -0.08 0.00 0.77 0.00 0.00 66.41 65.94 1nfp h THR 81 Cb 0.18 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1nfp h THR 81 CO -0.02 0.46 -0.28 -0.37 0.37 0.00 0.00 175.52 175.68 1nfp h VAL 82 N 0.65 1.25 -0.45 3.16 -1.51 -0.90 -1.82 116.25 116.64 1nfp h VAL 82 Ca 0.08 -1.20 -0.09 0.00 -1.23 0.00 0.00 66.70 64.26 1nfp h VAL 82 Cb 0.79 1.45 -0.02 0.00 -2.13 0.00 0.00 31.29 31.38 1nfp h VAL 82 CO 0.07 0.37 -0.10 0.58 -1.23 0.00 0.00 177.57 177.25 1nfp h VAL 83 N 0.24 1.26 -0.60 7.19 2.07 -1.06 -0.16 116.25 125.18 1nfp h VAL 83 Ca 0.04 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.33 1nfp h VAL 83 Cb 0.62 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1nfp h VAL 83 CO 0.04 0.40 0.13 0.11 0.02 0.00 0.00 177.57 178.28 1nfp h LYS 84 N 0.72 0.94 -0.55 1.57 1.57 -1.00 -1.69 116.57 118.14 1nfp h LYS 84 Ca 0.12 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.58 1nfp h LYS 84 Cb 0.58 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1nfp h LYS 84 CO 0.04 0.85 -0.09 0.00 -0.57 0.00 0.00 179.45 179.68 1nfp h ALA 85 N 1.24 0.81 -0.32 3.86 0.00 -0.98 -2.99 119.26 120.87 1nfp h ALA 85 Ca 0.19 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1nfp h ALA 85 Cb 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1nfp h ALA 85 CO 0.00 0.67 0.07 0.00 0.00 0.00 0.00 179.25 179.99 1nfp h ALA 86 N 0.98 1.52 -0.87 0.00 0.00 -0.52 -1.40 119.26 118.97 1nfp h ALA 86 Ca 0.15 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.07 1nfp h ALA 86 Cb 0.65 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1nfp h ALA 86 CO 0.04 0.35 0.57 -0.22 0.00 0.00 0.00 179.25 180.00 1nfp h LYS 87 N 0.46 0.60 -0.39 0.00 3.64 -1.17 -1.40 116.57 118.32 1nfp h LYS 87 Ca 0.11 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1nfp h LYS 87 Cb 0.19 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1nfp h LYS 87 CO -0.00 0.40 0.00 0.66 -2.27 0.00 0.00 179.45 178.24 1nfp n TYR 88 N -4.55 0.51 -2.16 1.91 4.01 -0.99 -4.99 117.16 110.90 1nfp n TYR 88 Ca 0.17 -0.37 -0.16 0.00 -0.16 0.00 0.00 57.90 57.38 1nfp n TYR 88 Cb 0.51 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.51 1nfp n TYR 88 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nfp n GLY 89 N 0.97 0.05 3.82 2.72 0.00 -0.53 -4.99 105.19 107.23 1nfp n GLY 89 Ca 0.15 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1nfp n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1nfp s MET 90 N -4.55 4.24 0.54 1.61 -1.94 -0.59 -4.95 119.30 113.66 1nfp s MET 90 Ca 0.00 0.97 -0.18 0.00 -1.71 0.00 0.00 55.69 54.77 1nfp s MET 90 Cb 0.00 -2.56 -0.06 0.00 2.01 0.00 0.00 34.83 34.22 1nfp s MET 90 CO 0.00 0.19 1.04 -1.25 -0.01 0.00 0.00 175.02 175.00 1nfp s PRO 91 N -2.59 3.60 0.30 2.03 0.04 -1.26 -4.63 135.00 132.49 1nfp s PRO 91 Ca 0.52 1.25 0.06 0.00 0.04 0.00 0.00 61.00 62.87 1nfp s PRO 91 Cb -0.13 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 1nfp s PRO 91 CO 0.18 -0.59 0.39 -0.51 0.04 0.00 0.00 177.00 176.52 1nfp s LEU 92 N -4.00 4.04 -0.21 -3.56 1.43 -1.26 -1.01 118.68 114.10 1nfp s LEU 92 Ca 0.65 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 1nfp s LEU 92 Cb -0.15 -2.70 0.05 0.00 0.03 0.00 0.00 46.19 43.42 1nfp s LEU 92 CO 0.29 -0.27 -0.07 -0.22 0.23 0.00 0.00 176.35 176.30 1nfp s LEU 93 N -4.06 2.28 -0.03 1.79 2.96 -0.12 -1.12 118.68 120.38 1nfp s LEU 93 Ca 0.40 -0.97 -0.23 0.00 -0.22 0.00 0.00 54.13 53.10 1nfp s LEU 93 Cb -0.09 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.41 1nfp s LEU 93 CO 0.29 -0.19 0.69 -0.36 -1.32 0.00 0.00 176.35 175.47 1nfp s PHE 94 N 1.44 3.63 0.26 5.38 0.08 -0.37 -0.60 117.98 127.79 1nfp s PHE 94 Ca -0.03 1.28 -0.29 0.00 0.12 0.00 0.00 56.93 58.01 1nfp s PHE 94 Cb -0.17 -2.77 -0.09 0.00 -0.57 0.00 0.00 43.02 39.41 1nfp s PHE 94 CO -0.07 0.17 1.15 0.15 -0.10 0.00 0.00 175.22 176.52 1nfp s LYS 95 N 0.47 4.57 0.46 0.44 1.02 -1.26 -1.66 119.74 123.77 1nfp s LYS 95 Ca 0.37 1.87 0.25 0.00 0.02 0.00 0.00 55.97 58.48 1nfp s LYS 95 Cb -0.18 -3.19 1.02 0.00 -0.52 0.00 0.00 37.83 34.96 1nfp s LYS 95 CO 0.19 0.08 1.87 0.11 -0.92 0.00 0.00 175.35 176.68 1nfp h TRP 96 N 4.15 0.00 -0.17 3.18 5.08 -1.97 -3.04 115.95 123.19 1nfp h TRP 96 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.51 1nfp h TRP 96 Cb 1.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 1nfp h TRP 96 CO 0.59 0.20 0.00 -0.40 -1.28 0.00 0.00 178.44 177.55 1nfp n ASP 97 N -3.40 1.76 -4.87 0.11 5.75 -1.26 -4.79 116.55 109.84 1nfp n ASP 97 Ca -0.00 -1.71 -0.37 0.00 -0.01 0.00 0.00 54.79 52.70 1nfp n ASP 97 Cb 0.40 -0.10 -0.06 0.00 -1.03 0.00 0.00 41.12 40.33 1nfp n ASP 97 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1nfp s ASP 98 N -1.60 6.54 0.76 -1.12 1.01 -1.15 -5.01 116.67 116.09 1nfp s ASP 98 Ca 0.33 0.63 -0.13 0.00 0.71 0.00 0.00 52.55 54.09 1nfp s ASP 98 Cb 0.18 -2.13 0.05 0.00 1.01 0.00 0.00 42.92 42.04 1nfp s ASP 98 CO 0.27 0.34 1.15 -0.94 0.21 0.00 0.00 175.17 176.20 1nfp s SER 99 N -1.24 4.22 0.35 0.27 1.04 -1.26 -4.80 113.70 112.27 1nfp s SER 99 Ca 0.21 2.14 0.07 0.00 0.48 0.00 0.00 55.95 58.85 1nfp s SER 99 Cb -0.14 -2.56 0.76 0.00 0.10 0.00 0.00 66.02 64.18 1nfp s SER 99 CO 0.10 -2.24 1.89 -0.61 0.98 0.00 0.00 173.24 173.37 1nfp h GLN 100 N -0.68 0.74 -0.66 4.02 5.75 -1.88 -1.67 115.11 120.72 1nfp h GLN 100 Ca -0.46 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 57.98 1nfp h GLN 100 Cb 1.27 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.62 1nfp h GLN 100 CO 0.49 0.49 0.33 0.37 -2.65 0.00 0.00 178.83 177.86 1nfp h GLN 101 N 0.76 0.95 -0.38 1.69 -0.00 -2.00 -1.17 115.11 114.96 1nfp h GLN 101 Ca 0.41 -0.13 -0.10 0.00 -0.00 0.00 0.00 58.65 58.83 1nfp h GLN 101 Cb 0.54 -0.17 -0.01 0.00 0.00 0.00 0.00 27.48 27.84 1nfp h GLN 101 CO -0.17 0.74 -0.15 -0.22 0.00 0.00 0.00 178.83 179.03 1nfp h LYS 102 N 0.91 0.77 -0.37 1.69 3.64 -1.68 -1.57 116.57 119.96 1nfp h LYS 102 Ca 0.23 -0.32 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1nfp h LYS 102 Cb 0.10 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1nfp h LYS 102 CO -0.03 0.94 0.17 0.00 -2.27 0.00 0.00 179.45 178.25 1nfp h ARG 103 N 0.57 0.34 -0.59 1.90 3.08 -1.11 -0.89 114.38 117.68 1nfp h ARG 103 Ca 0.09 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1nfp h ARG 103 Cb 0.69 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 1nfp h ARG 103 CO 0.05 0.22 0.28 0.82 -1.07 0.00 0.00 179.97 180.27 1nfp h ILE 104 N 0.35 1.21 -0.34 2.04 2.04 -1.06 0.37 117.51 122.12 1nfp h ILE 104 Ca 0.16 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.47 1nfp h ILE 104 Cb 0.09 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1nfp h ILE 104 CO -0.13 0.24 0.14 -0.33 0.00 0.00 0.00 178.15 178.07 1nfp h GLU 105 N 0.80 0.29 -0.44 2.37 5.08 -0.87 -2.26 114.58 119.56 1nfp h GLU 105 Ca 0.20 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1nfp h GLU 105 Cb 0.11 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1nfp h GLU 105 CO -0.03 0.19 0.23 -0.07 -1.00 0.00 0.00 179.01 178.34 1nfp h LEU 106 N 0.30 0.56 -0.80 1.33 3.38 -0.86 -0.85 115.31 118.37 1nfp h LEU 106 Ca 0.15 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1nfp h LEU 106 Cb 0.09 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1nfp h LEU 106 CO -0.13 0.50 0.53 0.25 0.09 0.00 0.00 178.44 179.68 1nfp h LEU 107 N 0.57 0.91 -0.79 1.67 5.85 -0.80 -1.11 115.31 121.62 1nfp h LEU 107 Ca 0.15 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.73 1nfp h LEU 107 Cb 0.07 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1nfp h LEU 107 CO -0.02 0.65 -0.45 0.78 -0.34 0.00 0.00 178.44 179.05 1nfp h ASN 108 N 1.07 0.37 -0.69 1.25 2.35 -1.09 -0.51 115.58 118.33 1nfp h ASN 108 Ca 0.30 -0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 55.81 1nfp h ASN 108 Cb -0.09 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 1nfp h ASN 108 CO -0.08 0.77 0.17 -0.74 -1.65 0.00 0.00 177.43 175.91 1nfp h HIS 109 N 0.28 1.15 -0.22 1.19 2.76 -0.91 0.39 115.15 119.79 1nfp h HIS 109 Ca 0.02 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.04 1nfp h HIS 109 Cb 0.91 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.54 1nfp h HIS 109 CO 0.02 0.94 0.09 -0.92 -1.30 0.00 0.00 177.93 176.77 1nfp h TYR 110 N 1.03 0.34 -0.65 5.26 5.03 -0.92 -1.56 116.97 125.49 1nfp h TYR 110 Ca 0.22 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.48 1nfp h TYR 110 Cb 0.37 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.52 1nfp h TYR 110 CO 0.03 0.37 0.31 1.96 -1.32 0.00 0.00 178.16 179.50 1nfp h GLN 111 N 0.21 0.92 -0.36 1.82 4.20 -0.86 -1.77 115.11 119.27 1nfp h GLN 111 Ca 0.07 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1nfp h GLN 111 Cb 0.17 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1nfp h GLN 111 CO -0.01 0.71 0.05 0.00 -0.67 0.00 0.00 178.83 178.91 1nfp h ALA 112 N 1.42 0.48 0.12 3.87 0.00 -0.73 -2.31 119.26 122.12 1nfp h ALA 112 Ca 0.22 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1nfp h ALA 112 Cb 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1nfp h ALA 112 CO -0.03 0.20 -0.17 0.00 0.00 0.00 0.00 179.25 179.25 1nfp h ALA 113 N 0.90 -0.30 -0.74 0.00 0.00 -0.92 -0.49 119.26 117.71 1nfp h ALA 113 Ca 0.11 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1nfp h ALA 113 Cb 0.38 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1nfp h ALA 113 CO 0.01 -0.70 0.41 0.00 0.00 0.00 0.00 179.25 178.97 1nfp h ALA 114 N 0.48 1.02 -0.47 0.00 0.00 -1.33 0.16 119.26 119.12 1nfp h ALA 114 Ca 0.02 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1nfp h ALA 114 Cb 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1nfp h ALA 114 CO -0.08 0.07 0.09 0.00 0.00 0.00 0.00 179.25 179.34 1nfp h ALA 115 N 1.40 0.62 -0.74 0.00 0.00 -0.95 0.22 119.26 119.81 1nfp h ALA 115 Ca 0.34 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1nfp h ALA 115 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1nfp h ALA 115 CO -0.21 0.32 0.39 0.87 0.00 0.00 0.00 179.25 180.62 1nfp h LYS 116 N 0.63 1.05 -0.00 0.00 1.57 -0.30 -2.74 116.57 116.77 1nfp h LYS 116 Ca 0.14 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1nfp h LYS 116 Cb 0.36 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1nfp h LYS 116 CO 0.01 0.79 -0.19 1.19 -0.57 0.00 0.00 179.45 180.68 1nfp n PHE 117 N -4.44 0.00 -3.29 -1.35 3.72 0.47 -4.94 117.46 107.63 1nfp n PHE 117 Ca 0.06 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.31 1nfp n PHE 117 Cb 0.11 -0.23 0.08 0.00 -0.94 0.00 0.00 39.48 38.50 1nfp n PHE 117 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1nfp n ASN 118 N -1.07 -2.54 -4.60 4.37 5.15 0.50 -5.01 115.26 112.05 1nfp n ASN 118 Ca 0.11 -0.54 -0.36 0.00 -0.60 0.00 0.00 54.58 53.20 1nfp n ASN 118 Cb 0.31 -4.59 -0.10 0.00 -0.53 0.00 0.00 39.78 34.87 1nfp n ASN 118 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1nfp s VAL 119 N -3.31 4.91 -0.37 3.44 1.01 0.34 -5.03 120.40 121.39 1nfp s VAL 119 Ca 0.07 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1nfp s VAL 119 Cb -0.03 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 33.10 1nfp s VAL 119 CO 0.65 0.38 1.19 -0.62 0.00 0.00 0.00 175.10 176.70 1nfp s ASP 120 N 0.98 6.72 -0.15 3.32 2.15 -1.26 -4.59 116.67 123.83 1nfp s ASP 120 Ca 0.05 0.91 0.18 0.00 0.43 0.00 0.00 52.55 54.12 1nfp s ASP 120 Cb -0.14 -2.54 0.39 0.00 -0.30 0.00 0.00 42.92 40.33 1nfp s ASP 120 CO 0.03 -1.10 1.27 2.30 -0.17 0.00 0.00 175.17 177.51 1nfp n ILE 121 N 6.36 2.07 -0.27 4.11 -5.35 -1.26 -4.78 119.36 120.23 1nfp n ILE 121 Ca 0.13 -2.13 0.08 0.00 -0.27 0.00 0.00 62.75 60.56 1nfp n ILE 121 Cb 0.48 -0.25 0.23 0.00 -1.74 0.00 0.00 39.64 38.36 1nfp n ILE 121 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1nfp h ALA 122 N 0.77 1.17 -0.00 -1.28 0.00 -2.00 -1.94 119.26 115.98 1nfp h ALA 122 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1nfp h ALA 122 Cb 1.19 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1nfp h ALA 122 CO 0.10 -0.29 -0.44 0.09 0.00 0.00 0.00 179.25 178.71 1nfp n ASN 123 N -5.06 0.61 -4.73 0.00 3.02 -1.26 -4.95 115.26 102.89 1nfp n ASN 123 Ca 0.17 -0.38 -0.42 0.00 -0.03 0.00 0.00 54.58 53.92 1nfp n ASN 123 Cb 0.51 0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.87 1nfp n ASN 123 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1nfp s VAL 124 N -2.89 2.93 -0.07 2.41 1.01 -0.73 -5.02 120.40 118.04 1nfp s VAL 124 Ca 0.14 0.71 0.04 0.00 0.00 0.00 0.00 61.98 62.87 1nfp s VAL 124 Cb 0.18 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1nfp s VAL 124 CO 0.66 0.08 -0.20 -0.13 0.00 0.00 0.00 175.10 175.51 1nfp s ARG 125 N 0.48 2.37 0.65 2.72 0.52 -1.26 -4.97 118.95 119.45 1nfp s ARG 125 Ca 0.63 -0.72 0.01 0.00 -0.52 0.00 0.00 55.73 55.13 1nfp s ARG 125 Cb -0.40 -1.91 0.09 0.00 0.52 0.00 0.00 34.95 33.26 1nfp s ARG 125 CO 0.36 0.20 0.89 -1.01 0.02 0.00 0.00 175.30 175.76 1nfp s HIS 126 N 0.26 1.99 0.00 -0.53 3.76 0.30 -4.71 115.29 116.36 1nfp s HIS 126 Ca -0.12 -0.25 0.07 0.00 -0.15 0.00 0.00 55.06 54.61 1nfp s HIS 126 Cb -0.15 -2.82 -0.02 0.00 1.11 0.00 0.00 32.58 30.70 1nfp s HIS 126 CO 0.05 -1.36 -0.20 1.03 -0.85 0.00 0.00 174.74 173.41 1nfp s ARG 127 N -4.95 1.55 -0.12 1.40 1.81 -0.28 0.65 118.95 119.01 1nfp s ARG 127 Ca 0.63 -0.79 0.03 0.00 -1.72 0.00 0.00 55.73 53.88 1nfp s ARG 127 Cb -0.07 -1.55 0.00 0.00 -0.45 0.00 0.00 34.95 32.88 1nfp s ARG 127 CO 0.42 0.42 -0.23 -1.17 -0.68 0.00 0.00 175.30 174.05 1nfp s LEU 128 N -0.71 2.10 -0.08 2.53 2.96 0.50 -1.24 118.68 124.75 1nfp s LEU 128 Ca 0.08 -0.58 -0.22 0.00 -0.22 0.00 0.00 54.13 53.18 1nfp s LEU 128 Cb -0.08 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 1nfp s LEU 128 CO 0.00 0.12 0.65 -0.04 -1.32 0.00 0.00 176.35 175.76 1nfp s MET 129 N 0.58 4.41 0.00 1.98 -1.94 -0.67 -0.93 119.30 122.73 1nfp s MET 129 Ca -0.13 0.78 0.01 0.00 -1.71 0.00 0.00 55.69 54.64 1nfp s MET 129 Cb -0.17 -3.44 -0.00 0.00 2.01 0.00 0.00 34.83 33.23 1nfp s MET 129 CO 0.04 0.09 -0.03 -0.51 -0.01 0.00 0.00 175.02 174.60 1nfp s LEU 130 N 0.73 2.03 0.10 -0.03 1.43 0.02 -3.40 118.68 119.57 1nfp s LEU 130 Ca 0.35 -0.10 -0.28 0.00 -1.03 0.00 0.00 54.13 53.07 1nfp s LEU 130 Cb -0.17 -0.14 -0.06 0.00 0.03 0.00 0.00 46.19 45.85 1nfp s LEU 130 CO 0.16 0.01 0.87 -0.36 0.23 0.00 0.00 176.35 177.27 1nfp s PHE 131 N -0.20 3.81 -0.12 0.29 0.40 -1.26 -1.07 117.98 119.83 1nfp s PHE 131 Ca -0.00 1.68 0.01 0.00 -0.60 0.00 0.00 56.93 58.02 1nfp s PHE 131 Cb -0.02 -2.94 0.02 0.00 0.51 0.00 0.00 43.02 40.59 1nfp s PHE 131 CO -0.00 0.28 -0.16 0.08 0.70 0.00 0.00 175.22 176.12 1nfp s VAL 132 N -0.23 1.58 -0.23 -0.44 1.01 -0.34 -1.36 120.40 120.38 1nfp s VAL 132 Ca 0.42 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1nfp s VAL 132 Cb -0.23 -1.44 0.07 0.00 0.00 0.00 0.00 36.38 34.78 1nfp s VAL 132 CO 0.27 0.46 0.04 0.21 0.00 0.00 0.00 175.10 176.08 1nfp s ASN 133 N 1.10 3.34 -0.22 3.32 3.84 0.48 -4.40 114.94 122.40 1nfp s ASN 133 Ca -0.04 -1.08 -0.09 0.00 0.21 0.00 0.00 52.86 51.87 1nfp s ASN 133 Cb -0.14 -0.75 -0.04 0.00 -0.55 0.00 0.00 41.25 39.76 1nfp s ASN 133 CO -0.04 -0.32 0.10 -0.69 -2.79 0.00 0.00 177.10 173.36 1nfp s VAL 134 N 1.73 4.91 -0.04 -5.21 1.01 -1.26 -1.51 120.40 120.03 1nfp s VAL 134 Ca 0.01 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 1nfp s VAL 134 Cb -0.17 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 32.96 1nfp s VAL 134 CO -0.12 0.39 0.11 0.21 0.00 0.00 0.00 175.10 175.69 1nfp s ASN 135 N 0.86 -0.11 0.52 3.32 3.84 0.10 -4.96 114.94 118.51 1nfp s ASN 135 Ca 0.05 0.22 0.21 0.00 0.21 0.00 0.00 52.86 53.55 1nfp s ASN 135 Cb -0.13 0.21 1.33 0.00 -0.55 0.00 0.00 41.25 42.11 1nfp s ASN 135 CO 0.03 -0.04 2.07 0.44 -2.79 0.00 0.00 177.10 176.80 1nfp h ASP 136 N 6.07 0.00 -3.28 -4.21 3.32 -1.97 -3.15 116.42 113.22 1nfp h ASP 136 Ca -0.26 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 56.06 1nfp h ASP 136 Cb 1.20 -0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.53 1nfp h ASP 136 CO 0.44 0.00 -0.23 0.21 -1.72 0.00 0.00 179.24 177.94 1nfp s ASN 137 N -6.61 6.17 0.24 6.45 3.84 -1.26 -4.80 114.94 118.97 1nfp s ASN 137 Ca -0.05 -1.26 -0.04 0.00 0.21 0.00 0.00 52.86 51.72 1nfp s ASN 137 Cb 0.18 -2.21 0.45 0.00 -0.55 0.00 0.00 41.25 39.12 1nfp s ASN 137 CO 0.70 -0.72 1.74 -0.65 -2.79 0.00 0.00 177.10 175.38 1nfp h PRO 138 N 8.82 0.45 -0.62 0.43 0.11 -1.89 -1.71 132.00 137.59 1nfp h PRO 138 Ca -0.28 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.89 1nfp h PRO 138 Cb 1.11 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.05 1nfp h PRO 138 CO 0.91 0.30 0.27 1.15 -0.21 0.00 0.00 178.00 180.42 1nfp h THR 139 N 0.47 0.82 -0.49 -1.15 2.02 -1.94 -2.49 112.91 110.15 1nfp h THR 139 Ca 0.41 -0.16 -0.08 0.00 0.77 0.00 0.00 66.41 67.35 1nfp h THR 139 Cb 0.60 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1nfp h THR 139 CO -0.39 0.09 -0.00 0.06 0.37 0.00 0.00 175.52 175.65 1nfp h GLN 140 N 0.48 0.81 -0.40 6.66 3.07 -1.70 -1.47 115.11 122.56 1nfp h GLN 140 Ca 0.31 -0.22 -0.00 0.00 0.09 0.00 0.00 58.65 58.82 1nfp h GLN 140 Cb 0.34 -0.09 -0.02 0.00 0.08 0.00 0.00 27.48 27.79 1nfp h GLN 140 CO -0.27 0.82 0.24 0.00 0.09 0.00 0.00 178.83 179.71 1nfp h ALA 141 N 1.24 0.51 -0.60 0.06 0.00 -1.23 -1.48 119.26 117.76 1nfp h ALA 141 Ca 0.15 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1nfp h ALA 141 Cb 0.46 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1nfp h ALA 141 CO 0.02 -0.00 0.14 0.87 0.00 0.00 0.00 179.25 180.27 1nfp h LYS 142 N 0.53 0.96 -0.38 0.00 1.57 -1.35 -1.36 116.57 116.54 1nfp h LYS 142 Ca 0.14 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1nfp h LYS 142 Cb -0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1nfp h LYS 142 CO -0.03 0.89 0.14 0.00 -0.57 0.00 0.00 179.45 179.88 1nfp h ALA 143 N 1.03 0.50 -0.50 3.86 0.00 -1.12 -1.03 119.26 122.00 1nfp h ALA 143 Ca 0.19 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1nfp h ALA 143 Cb 0.36 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1nfp h ALA 143 CO 0.00 0.11 0.32 0.93 0.00 0.00 0.00 179.25 180.61 1nfp h GLU 144 N 0.47 0.63 -0.80 0.00 5.08 -1.11 -0.62 114.58 118.23 1nfp h GLU 144 Ca 0.13 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1nfp h GLU 144 Cb 0.20 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1nfp h GLU 144 CO -0.01 0.42 0.33 1.25 -1.00 0.00 0.00 179.01 180.00 1nfp h LEU 145 N 0.65 1.08 -0.32 1.33 5.85 -1.11 -1.32 115.31 121.47 1nfp h LEU 145 Ca 0.19 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1nfp h LEU 145 Cb -0.05 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 1nfp h LEU 145 CO -0.05 0.94 0.15 0.28 -0.34 0.00 0.00 178.44 179.42 1nfp h SER 146 N 1.15 0.43 -0.52 1.25 0.02 -0.62 -2.25 113.55 113.01 1nfp h SER 146 Ca 0.27 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1nfp h SER 146 Cb 0.19 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1nfp h SER 146 CO -0.03 0.46 0.05 -0.29 -1.14 0.00 0.00 176.83 175.88 1nfp h ILE 147 N 0.38 1.26 -0.52 3.27 6.09 -1.02 -2.56 117.51 124.41 1nfp h ILE 147 Ca 0.11 -1.02 0.06 0.00 -1.37 0.00 0.00 64.86 62.65 1nfp h ILE 147 Cb 0.15 0.89 -0.05 0.00 0.47 0.00 0.00 36.82 38.28 1nfp h ILE 147 CO -0.01 0.36 0.23 0.22 -3.07 0.00 0.00 178.15 175.87 1nfp h TYR 148 N 0.76 0.40 0.00 2.19 5.03 -1.08 -3.13 116.97 121.15 1nfp h TYR 148 Ca 0.15 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.49 1nfp h TYR 148 Cb 0.46 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.64 1nfp h TYR 148 CO 0.03 0.16 -0.20 1.28 -1.32 0.00 0.00 178.16 178.11 1nfp n LEU 149 N -4.95 0.31 -0.09 2.82 4.77 -0.86 -1.90 117.00 117.10 1nfp n LEU 149 Ca 0.06 0.34 -0.06 0.00 -0.03 0.00 0.00 56.01 56.31 1nfp n LEU 149 Cb 0.18 -0.38 -0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1nfp n LEU 149 CO 0.26 0.01 0.73 -0.33 -1.33 0.00 0.00 177.39 176.74 1nfp h GLU 150 N 0.00 -0.13 -0.54 3.23 4.39 -1.41 -1.44 114.58 118.68 1nfp h GLU 150 Ca 0.00 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 1nfp h GLU 150 Cb 0.55 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1nfp h GLU 150 CO 0.00 -0.09 0.03 -0.44 -1.16 0.00 0.00 179.01 177.35 1nfp h ASP 151 N -0.14 0.87 -0.47 1.42 3.32 -1.81 -2.39 116.42 117.23 1nfp h ASP 151 Ca 0.17 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1nfp h ASP 151 Cb 0.40 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1nfp h ASP 151 CO -0.42 0.91 0.14 0.22 -1.72 0.00 0.00 179.24 178.38 1nfp h TYR 152 N 0.84 0.75 -0.43 4.55 5.03 -1.66 -0.08 116.97 125.98 1nfp h TYR 152 Ca 0.16 -0.08 -0.09 0.00 2.58 0.00 0.00 58.73 61.31 1nfp h TYR 152 Cb 0.46 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.51 1nfp h TYR 152 CO 0.03 0.67 -0.09 -0.07 -1.32 0.00 0.00 178.16 177.38 1nfp h LEU 153 N 0.62 0.74 -0.41 2.82 3.38 -1.19 -0.19 115.31 121.07 1nfp h LEU 153 Ca 0.15 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1nfp h LEU 153 Cb 0.27 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1nfp h LEU 153 CO -0.00 0.86 -0.02 -1.28 0.09 0.00 0.00 178.44 178.09 1nfp h SER 154 N 0.69 0.73 -0.35 -0.43 0.87 -1.32 -0.31 113.55 113.43 1nfp h SER 154 Ca 0.12 -0.32 -0.04 0.00 -1.23 0.00 0.00 61.79 60.33 1nfp h SER 154 Cb 0.55 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1nfp h SER 154 CO 0.03 0.87 0.06 0.22 -0.53 0.00 0.00 176.83 177.49 1nfp h TYR 155 N 0.57 0.62 -0.00 2.24 3.20 -0.66 -2.67 116.97 120.27 1nfp h TYR 155 Ca 0.12 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1nfp h TYR 155 Cb 0.51 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.61 1nfp h TYR 155 CO 0.04 0.63 -0.02 0.25 -1.64 0.00 0.00 178.16 177.43 1nfp n THR 156 N -4.58 0.00 -3.89 1.81 -2.24 -0.11 -4.91 114.28 100.35 1nfp n THR 156 Ca -0.01 -0.01 -0.25 0.00 -2.27 0.00 0.00 64.05 61.51 1nfp n THR 156 Cb 0.22 -0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 67.99 1nfp n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nfp n GLN 157 N -1.29 -3.79 -1.81 -0.78 6.02 -0.20 -4.87 117.38 110.66 1nfp n GLN 157 Ca 0.13 0.47 -0.41 0.00 -0.01 0.00 0.00 57.00 57.18 1nfp n GLN 157 Cb 0.26 -4.75 0.00 0.00 1.02 0.00 0.00 30.24 26.77 1nfp n GLN 157 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nfp s ALA 158 N -3.84 3.47 0.04 -1.58 0.00 -0.76 -4.94 121.76 114.14 1nfp s ALA 158 Ca 0.04 1.53 -0.09 0.00 0.00 0.00 0.00 51.96 53.45 1nfp s ALA 158 Cb -0.02 -3.60 -0.31 0.00 0.00 0.00 0.00 23.12 19.18 1nfp s ALA 158 CO 0.87 -1.08 1.00 1.49 0.00 0.00 0.00 175.76 178.03 1nfp h GLU 159 N 2.81 0.38 0.00 0.00 4.57 -1.92 -3.44 114.58 116.98 1nfp h GLU 159 Ca -0.51 -0.65 0.00 0.00 -1.18 0.00 0.00 59.36 57.02 1nfp h GLU 159 Cb 1.25 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 1nfp h GLU 159 CO 0.63 1.29 0.00 0.25 -1.18 0.00 0.00 179.01 180.01 1nfp n THR 160 N -3.59 0.00 -0.16 0.32 -2.24 -1.26 -4.97 114.28 102.38 1nfp n THR 160 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1nfp n THR 160 Cb 1.06 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 1nfp n THR 160 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1nfp n SER 161 N -2.00 -0.71 0.32 3.42 3.41 -1.26 -4.44 113.62 112.36 1nfp n SER 161 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 1nfp n SER 161 Cb 0.00 -0.27 1.06 0.00 -0.26 0.00 0.00 64.21 64.74 1nfp n SER 161 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1nfp h ILE 162 N 0.00 0.24 -0.37 -1.33 6.09 -1.98 -0.49 117.51 119.67 1nfp h ILE 162 Ca 0.00 -0.05 -0.09 0.00 -1.37 0.00 0.00 64.86 63.34 1nfp h ILE 162 Cb 0.00 1.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.32 1nfp h ILE 162 CO 0.00 0.01 -0.13 0.44 -3.07 0.00 0.00 178.15 175.40 1nfp h ASP 163 N 0.00 0.75 -0.31 2.19 3.32 -1.99 0.16 116.42 120.55 1nfp h ASP 163 Ca -0.00 -0.38 -0.17 0.00 0.02 0.00 0.00 57.03 56.50 1nfp h ASP 163 Cb 0.04 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 1nfp h ASP 163 CO 0.00 0.97 -0.46 -0.08 -1.72 0.00 0.00 179.24 177.95 1nfp h GLU 164 N 0.54 0.86 -0.08 3.56 4.57 -1.40 0.04 114.58 122.66 1nfp h GLU 164 Ca 0.09 -0.51 0.01 0.00 -1.18 0.00 0.00 59.36 57.77 1nfp h GLU 164 Cb 0.66 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1nfp h GLU 164 CO 0.04 1.15 -0.00 0.82 -1.18 0.00 0.00 179.01 179.84 1nfp h ILE 165 N 0.64 0.95 -0.23 2.32 1.08 -1.02 0.13 117.51 121.37 1nfp h ILE 165 Ca 0.03 -0.01 0.03 0.00 -0.39 0.00 0.00 64.86 64.52 1nfp h ILE 165 Cb 1.06 0.92 -0.03 0.00 -3.07 0.00 0.00 36.82 35.70 1nfp h ILE 165 CO 0.11 0.00 0.03 0.40 -0.69 0.00 0.00 178.15 178.00 1nfp h ILE 166 N 0.03 0.87 0.00 -0.67 2.04 -0.55 -1.73 117.51 117.50 1nfp h ILE 166 Ca 0.03 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1nfp h ILE 166 Cb 0.04 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1nfp h ILE 166 CO -0.06 0.02 -0.06 0.78 0.00 0.00 0.00 178.15 178.83 1nfp h ASN 167 N 0.11 0.00 0.01 1.72 2.35 -0.60 -1.42 115.58 117.74 1nfp h ASN 167 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1nfp h ASN 167 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1nfp h ASN 167 CO -0.16 0.06 -0.01 -1.20 -1.65 0.00 0.00 177.43 174.47 1nfp n SER 168 N -4.43 1.20 0.00 5.81 7.64 0.42 -4.85 113.62 119.41 1nfp n SER 168 Ca -0.03 -1.37 0.00 0.00 1.01 0.00 0.00 58.87 58.48 1nfp n SER 168 Cb 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1nfp n SER 168 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1nfp n ASN 169 N -0.08 1.26 -3.66 6.43 3.02 -0.54 -4.78 115.26 116.92 1nfp n ASN 169 Ca 0.19 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.46 1nfp n ASN 169 Cb 0.31 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.33 1nfp n ASN 169 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nfp s ALA 170 N -2.00 1.02 -0.09 5.41 0.00 -0.47 -4.95 121.76 120.69 1nfp s ALA 170 Ca 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.81 1nfp s ALA 170 Cb 0.00 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.73 1nfp s ALA 170 CO 0.00 -1.53 -0.12 0.00 0.00 0.00 0.00 175.76 174.12 1nfp s ALA 171 N 1.88 1.39 0.00 0.00 0.00 -1.26 -0.39 121.76 123.38 1nfp s ALA 171 Ca 0.07 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1nfp s ALA 171 Cb -0.17 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.22 1nfp s ALA 171 CO -0.25 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1nfp n GLY 172 N 4.25 -0.19 3.90 0.00 0.00 -0.57 -4.80 105.19 107.78 1nfp n GLY 172 Ca -0.19 -1.31 -0.28 0.00 0.00 0.00 0.00 46.02 44.24 1nfp n GLY 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfp s ASN 173 N -4.00 4.93 0.12 1.61 2.20 -1.19 -0.72 114.94 117.88 1nfp s ASN 173 Ca 0.00 0.81 -0.28 0.00 -0.94 0.00 0.00 52.86 52.45 1nfp s ASN 173 Cb 0.00 -1.46 -0.07 0.00 -2.00 0.00 0.00 41.25 37.72 1nfp s ASN 173 CO 0.00 -1.61 1.61 0.15 -2.94 0.00 0.00 177.10 174.31 1nfp h PHE 174 N -0.77 -0.92 -0.98 1.54 3.57 -1.94 -2.27 116.94 115.17 1nfp h PHE 174 Ca -0.45 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.09 1nfp h PHE 174 Cb 1.30 0.40 -0.05 0.00 2.79 0.00 0.00 35.95 40.38 1nfp h PHE 174 CO 0.38 -0.43 0.64 -0.44 -2.23 0.00 0.00 178.31 176.23 1nfp h ASP 175 N -0.53 1.10 -0.41 0.41 3.32 -1.99 -1.40 116.42 116.92 1nfp h ASP 175 Ca 0.04 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1nfp h ASP 175 Cb 0.58 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1nfp h ASP 175 CO -0.23 0.78 0.23 0.74 -1.72 0.00 0.00 179.24 179.04 1nfp h THR 176 N 1.28 1.15 -0.53 0.35 2.02 -1.90 -2.83 112.91 112.45 1nfp h THR 176 Ca 0.37 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1nfp h THR 176 Cb -0.09 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1nfp h THR 176 CO -0.10 0.15 0.20 0.00 0.37 0.00 0.00 175.52 176.14 1nfp h LEU 178 N 0.72 -1.04 -0.38 0.00 3.38 -1.24 0.65 115.31 117.40 1nfp h LEU 178 Ca 0.18 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1nfp h LEU 178 Cb 0.23 0.39 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1nfp h LEU 178 CO -0.01 -0.45 0.17 0.45 0.09 0.00 0.00 178.44 178.69 1nfp h HIS 179 N -0.61 0.57 -0.69 1.13 3.86 -1.44 -1.78 115.15 116.18 1nfp h HIS 179 Ca 0.02 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1nfp h HIS 179 Cb 0.63 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.89 1nfp h HIS 179 CO -0.30 0.50 0.34 1.25 0.86 0.00 0.00 177.93 180.57 1nfp h HIS 180 N 0.48 0.99 -0.31 2.45 -0.00 -0.52 -0.55 115.15 117.69 1nfp h HIS 180 Ca 0.13 -0.05 -0.07 0.00 -0.00 0.00 0.00 60.37 60.39 1nfp h HIS 180 Cb 0.15 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 1nfp h HIS 180 CO -0.01 0.74 -0.06 0.28 -0.00 0.00 0.00 177.93 178.88 1nfp h VAL 181 N 0.96 1.28 -0.89 5.26 2.07 -0.80 -1.27 116.25 122.85 1nfp h VAL 181 Ca 0.24 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.72 1nfp h VAL 181 Cb 0.11 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 1nfp h VAL 181 CO -0.03 0.35 0.58 0.00 0.02 0.00 0.00 177.57 178.49 1nfp h ALA 182 N 0.80 1.50 -0.09 1.67 0.00 -1.01 -1.08 119.26 121.04 1nfp h ALA 182 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nfp h ALA 182 Cb 0.54 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1nfp h ALA 182 CO 0.03 0.38 0.05 0.93 0.00 0.00 0.00 179.25 180.64 1nfp h GLU 183 N 1.04 0.13 -0.68 0.00 4.39 -0.83 -0.98 114.58 117.65 1nfp h GLU 183 Ca 0.38 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.07 1nfp h GLU 183 Cb 0.15 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1nfp h GLU 183 CO -0.13 0.16 0.45 0.52 -1.16 0.00 0.00 179.01 178.84 1nfp h MET 184 N 0.07 0.89 -0.66 2.33 2.86 -0.55 -1.39 114.93 118.48 1nfp h MET 184 Ca 0.03 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1nfp h MET 184 Cb 0.06 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.48 1nfp h MET 184 CO -0.01 0.59 0.40 0.00 1.06 0.00 0.00 176.91 178.96 1nfp h ALA 185 N 1.25 0.86 -0.89 6.32 0.00 -0.94 -2.29 119.26 123.57 1nfp h ALA 185 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1nfp h ALA 185 Cb -0.11 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1nfp h ALA 185 CO -0.05 0.15 0.53 0.37 0.00 0.00 0.00 179.25 180.25 1nfp h GLN 186 N 0.79 1.21 -0.06 0.00 5.75 -0.49 0.27 115.11 122.58 1nfp h GLN 186 Ca 0.27 -0.11 0.02 0.00 -0.15 0.00 0.00 58.65 58.67 1nfp h GLN 186 Cb 0.04 -0.25 -0.00 0.00 1.07 0.00 0.00 27.48 28.34 1nfp h GLN 186 CO -0.12 0.85 0.04 0.78 -2.65 0.00 0.00 178.83 177.74 1nfp h GLY 187 N 1.24 0.00 -3.27 2.39 0.00 -0.74 -1.74 103.07 100.94 1nfp h GLY 187 Ca 0.32 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 47.22 1nfp h GLY 187 CO -0.06 0.00 0.30 1.04 0.00 0.00 0.00 176.54 177.82 1nfp n LEU 188 N -4.47 5.82 -1.84 3.11 4.77 -0.07 -4.86 117.00 119.47 1nfp n LEU 188 Ca -0.02 -3.90 -0.18 0.00 -0.03 0.00 0.00 56.01 51.89 1nfp n LEU 188 Cb 0.15 -0.75 -0.05 0.00 -2.33 0.00 0.00 43.42 40.43 1nfp n LEU 188 CO 0.34 1.30 -0.19 0.59 -1.33 0.00 0.00 177.39 178.09 1nfp n ASN 189 N -1.07 -4.97 -2.28 -1.43 5.03 -0.65 -1.77 115.26 108.12 1nfp n ASN 189 Ca 0.50 0.31 -0.20 0.00 0.87 0.00 0.00 54.58 56.06 1nfp n ASN 189 Cb 1.21 -4.34 -0.02 0.00 -1.02 0.00 0.00 39.78 35.60 1nfp n ASN 189 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1nfp n ASN 190 N -1.38 -5.65 -1.25 6.41 5.03 0.76 -4.87 115.26 114.32 1nfp n ASN 190 Ca -0.19 0.08 0.08 0.00 0.87 0.00 0.00 54.58 55.41 1nfp n ASN 190 Cb 0.62 -4.75 0.31 0.00 -1.02 0.00 0.00 39.78 34.94 1nfp n ASN 190 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1nfp n LYS 191 N -2.90 3.63 -5.02 3.52 4.76 -0.73 -4.98 118.16 116.44 1nfp n LYS 191 Ca -0.23 -2.93 -0.29 0.00 -2.87 0.00 0.00 58.31 51.98 1nfp n LYS 191 Cb 0.68 -1.97 -0.17 0.00 -1.84 0.00 0.00 35.03 31.73 1nfp n LYS 191 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1nfp s VAL 192 N -2.71 1.74 0.68 -0.18 -7.23 -1.26 -0.54 120.40 110.89 1nfp s VAL 192 Ca 0.46 -0.86 -0.01 0.00 -1.81 0.00 0.00 61.98 59.77 1nfp s VAL 192 Cb 0.36 -1.51 0.10 0.00 0.56 0.00 0.00 36.38 35.89 1nfp s VAL 192 CO 0.12 0.49 0.95 -1.81 -0.31 0.00 0.00 175.10 174.54 1nfp s ASP 193 N 0.24 4.59 0.15 4.85 1.01 0.21 -4.84 116.67 122.89 1nfp s ASP 193 Ca -0.12 -0.20 0.05 0.00 0.71 0.00 0.00 52.55 52.99 1nfp s ASP 193 Cb -0.15 -0.32 -0.04 0.00 1.01 0.00 0.00 42.92 43.41 1nfp s ASP 193 CO 0.05 -1.68 -0.11 -0.36 0.21 0.00 0.00 175.17 173.29 1nfp s PHE 194 N -3.07 1.31 -0.10 4.23 0.08 0.45 -0.37 117.98 120.51 1nfp s PHE 194 Ca 0.64 -0.73 -0.01 0.00 0.12 0.00 0.00 56.93 56.95 1nfp s PHE 194 Cb -0.07 -0.66 0.03 0.00 -0.57 0.00 0.00 43.02 41.75 1nfp s PHE 194 CO 0.43 0.11 -0.06 -0.51 -0.10 0.00 0.00 175.22 175.09 1nfp s LEU 195 N -3.16 1.04 -0.07 -0.37 1.43 -0.11 -1.55 118.68 115.90 1nfp s LEU 195 Ca 0.17 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1nfp s LEU 195 Cb 0.02 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 1nfp s LEU 195 CO 0.01 -0.13 0.03 -0.36 0.23 0.00 0.00 176.35 176.13 1nfp s PHE 196 N 1.74 3.23 -0.28 0.29 0.08 -0.46 -0.80 117.98 121.77 1nfp s PHE 196 Ca 0.04 0.23 -0.04 0.00 0.12 0.00 0.00 56.93 57.28 1nfp s PHE 196 Cb -0.13 -1.79 0.03 0.00 -0.57 0.00 0.00 43.02 40.57 1nfp s PHE 196 CO -0.07 0.52 0.01 0.00 -0.10 0.00 0.00 175.22 175.57 1nfp n PHE 198 N 4.73 0.27 0.26 0.00 3.72 -1.26 -1.20 117.46 123.98 1nfp n PHE 198 Ca -0.15 -0.14 0.14 0.00 -0.05 0.00 0.00 57.45 57.25 1nfp n PHE 198 Cb 0.46 0.00 0.67 0.00 -0.94 0.00 0.00 39.48 39.67 1nfp n PHE 198 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1nfp h GLU 199 N 3.78 0.00 0.00 -1.08 4.39 -1.90 -2.16 114.58 117.61 1nfp h GLU 199 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1nfp h GLU 199 Cb 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1nfp h GLU 199 CO 0.00 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.51 1nfp h SER 200 N 0.00 0.00 -2.78 1.42 4.64 -1.85 -3.43 113.55 111.55 1nfp h SER 200 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1nfp h SER 200 Cb 0.13 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.18 1nfp h SER 200 CO 0.00 0.00 1.19 -0.04 -0.87 0.00 0.00 176.83 177.11 1nfp s MET 201 N -3.13 3.30 0.15 4.77 -1.94 -0.81 -4.63 119.30 117.01 1nfp s MET 201 Ca 0.10 0.99 -0.13 0.00 -1.71 0.00 0.00 55.69 54.94 1nfp s MET 201 Cb 0.12 -4.16 0.03 0.00 2.01 0.00 0.00 34.83 32.83 1nfp s MET 201 CO 0.58 -1.91 1.65 0.87 -0.01 0.00 0.00 175.02 176.20 1nfp h LYS 202 N 12.21 0.83 -6.52 2.03 1.57 -1.89 -3.42 116.57 121.38 1nfp h LYS 202 Ca -0.29 -0.21 -0.57 0.00 -1.87 0.00 0.00 60.65 57.71 1nfp h LYS 202 Cb 1.13 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 33.27 1nfp h LYS 202 CO 1.10 0.81 0.88 0.34 -0.57 0.00 0.00 179.45 182.01 1nfp s ASP 203 N -6.19 6.76 0.42 0.86 -1.08 -1.26 -4.92 116.67 111.26 1nfp s ASP 203 Ca -0.13 0.71 0.12 0.00 -0.52 0.00 0.00 52.55 52.73 1nfp s ASP 203 Cb 0.12 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.94 1nfp s ASP 203 CO 0.80 -1.08 1.97 1.56 0.52 0.00 0.00 175.17 178.93 1nfp h GLN 204 N 8.73 0.13 -0.18 4.34 1.08 -2.00 -0.27 115.11 126.94 1nfp h GLN 204 Ca -0.22 -0.03 -0.21 0.00 -1.45 0.00 0.00 58.65 56.75 1nfp h GLN 204 Cb 1.06 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1nfp h GLN 204 CO 1.08 0.27 -0.70 0.93 -0.95 0.00 0.00 178.83 179.46 1nfp h GLU 205 N 0.12 0.75 -0.37 1.46 4.39 -1.97 -1.80 114.58 117.16 1nfp h GLU 205 Ca 0.03 -0.57 -0.02 0.00 0.34 0.00 0.00 59.36 59.13 1nfp h GLU 205 Cb 0.32 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1nfp h GLU 205 CO 0.02 1.19 0.14 -0.91 -1.16 0.00 0.00 179.01 178.28 1nfp h ASN 206 N 0.53 0.52 -0.18 1.42 2.35 -1.86 0.10 115.58 118.46 1nfp h ASN 206 Ca -0.03 -0.18 0.03 0.00 -0.55 0.00 0.00 56.30 55.57 1nfp h ASN 206 Cb 1.32 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.52 1nfp h ASN 206 CO 0.14 0.57 -0.01 0.50 -1.65 0.00 0.00 177.43 176.98 1nfp h LYS 207 N 0.45 0.04 -0.03 0.81 3.64 -1.04 -0.40 116.57 120.04 1nfp h LYS 207 Ca 0.12 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1nfp h LYS 207 Cb 0.21 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1nfp h LYS 207 CO -0.01 0.03 -0.10 -0.22 -2.27 0.00 0.00 179.45 176.88 1nfp h LYS 208 N 0.05 -0.16 -0.66 1.90 3.64 -1.08 -0.98 116.57 119.29 1nfp h LYS 208 Ca 0.09 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1nfp h LYS 208 Cb 0.11 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1nfp h LYS 208 CO -0.16 -0.10 0.42 1.03 -2.27 0.00 0.00 179.45 178.37 1nfp h SER 209 N -0.16 0.72 0.12 4.20 0.87 -0.85 -1.17 113.55 117.28 1nfp h SER 209 Ca 0.05 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1nfp h SER 209 Cb 0.23 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1nfp h SER 209 CO -0.13 0.51 -0.06 0.25 -0.53 0.00 0.00 176.83 176.88 1nfp h LEU 210 N 0.85 -0.14 -1.07 2.23 5.85 -0.79 -0.08 115.31 122.17 1nfp h LEU 210 Ca 0.25 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1nfp h LEU 210 Cb -0.05 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 1nfp h LEU 210 CO -0.07 -0.03 0.63 0.24 -0.34 0.00 0.00 178.44 178.87 1nfp h MET 211 N -0.24 1.21 -0.20 1.25 2.86 -0.97 -0.81 114.93 118.03 1nfp h MET 211 Ca -0.02 -0.07 -0.21 0.00 -2.06 0.00 0.00 59.70 57.34 1nfp h MET 211 Cb 0.19 -0.27 0.01 0.00 0.06 0.00 0.00 31.60 31.58 1nfp h MET 211 CO 0.03 0.80 -0.71 0.82 1.06 0.00 0.00 176.91 178.91 1nfp h ILE 212 N 1.24 1.28 -0.57 -1.22 2.04 -1.11 -1.91 117.51 117.25 1nfp h ILE 212 Ca 0.37 -1.90 -0.05 0.00 1.00 0.00 0.00 64.86 64.28 1nfp h ILE 212 Cb -0.06 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1nfp h ILE 212 CO -0.10 0.61 0.16 0.78 0.00 0.00 0.00 178.15 179.59 1nfp h ASN 213 N 0.58 0.86 -0.36 1.72 2.35 -0.56 -2.38 115.58 117.79 1nfp h ASN 213 Ca -0.03 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.45 1nfp h ASN 213 Cb 1.33 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 1nfp h ASN 213 CO 0.15 0.85 0.06 0.15 -1.65 0.00 0.00 177.43 176.99 1nfp h PHE 214 N 0.82 0.64 -0.34 1.19 3.57 -1.21 -2.14 116.94 119.47 1nfp h PHE 214 Ca 0.18 -0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.66 1nfp h PHE 214 Cb 0.32 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 38.82 1nfp h PHE 214 CO 0.02 0.66 -0.12 0.22 -2.23 0.00 0.00 178.31 176.86 1nfp h ASP 215 N 0.44 -0.43 -0.84 0.41 3.58 -1.07 -1.30 116.42 117.21 1nfp h ASP 215 Ca 0.11 0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.64 1nfp h ASP 215 Cb 0.36 0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.63 1nfp h ASP 215 CO 0.01 -0.16 0.41 0.11 -2.88 0.00 0.00 179.24 176.73 1nfp h LYS 216 N -0.05 1.21 -0.55 0.28 1.57 -1.37 -1.94 116.57 115.72 1nfp h LYS 216 Ca 0.17 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1nfp h LYS 216 Cb 0.31 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1nfp h LYS 216 CO -0.38 0.93 0.15 -0.09 -0.57 0.00 0.00 179.45 179.49 1nfp h ARG 217 N 1.20 0.87 -0.49 3.15 2.43 -1.02 -1.79 114.38 118.72 1nfp h ARG 217 Ca 0.29 -0.20 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 1nfp h ARG 217 Cb 0.11 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1nfp h ARG 217 CO -0.04 0.80 -0.02 0.28 -1.51 0.00 0.00 179.97 179.49 1nfp h VAL 218 N 0.77 1.26 -0.77 0.20 2.07 -1.15 -0.71 116.25 117.92 1nfp h VAL 218 Ca 0.17 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 1nfp h VAL 218 Cb 0.32 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1nfp h VAL 218 CO -0.00 0.38 0.34 0.40 0.02 0.00 0.00 177.57 178.72 1nfp h ILE 219 N 0.73 1.25 -0.27 4.57 2.04 -1.22 -0.76 117.51 123.86 1nfp h ILE 219 Ca 0.14 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 1nfp h ILE 219 Cb 0.54 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1nfp h ILE 219 CO 0.03 0.31 -0.02 0.78 0.00 0.00 0.00 178.15 179.24 1nfp h ASN 220 N 1.10 0.48 -0.50 1.72 2.35 -1.13 -2.45 115.58 117.15 1nfp h ASN 220 Ca 0.26 -0.33 0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1nfp h ASN 220 Cb 0.16 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 1nfp h ASN 220 CO -0.03 0.70 0.26 0.22 -1.65 0.00 0.00 177.43 176.93 1nfp h TYR 221 N 0.25 0.48 -0.56 1.19 5.03 -0.82 -0.44 116.97 122.11 1nfp h TYR 221 Ca 0.07 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.41 1nfp h TYR 221 Cb 0.46 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.57 1nfp h TYR 221 CO 0.04 0.25 0.36 0.00 -1.32 0.00 0.00 178.16 177.49 1nfp h ARG 222 N 0.51 0.71 -0.33 1.82 3.08 -1.07 -1.37 114.38 117.74 1nfp h ARG 222 Ca 0.21 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 1nfp h ARG 222 Cb 0.10 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1nfp h ARG 222 CO -0.14 0.47 0.07 0.87 -1.07 0.00 0.00 179.97 180.17 1nfp h LYS 223 N 0.73 0.53 -0.81 0.04 6.56 -0.93 0.44 116.57 123.14 1nfp h LYS 223 Ca 0.21 -0.13 -0.02 0.00 -1.06 0.00 0.00 60.65 59.65 1nfp h LYS 223 Cb -0.06 -0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 31.50 1nfp h LYS 223 CO -0.06 0.60 0.44 1.49 -2.06 0.00 0.00 179.45 179.87 1nfp h GLU 224 N 0.38 1.12 -0.33 3.15 4.81 -0.85 -2.82 114.58 120.03 1nfp h GLU 224 Ca 0.10 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1nfp h GLU 224 Cb 0.31 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1nfp h GLU 224 CO 0.00 0.82 0.00 0.72 -0.73 0.00 0.00 179.01 179.83 1nfp n HIS 225 N -4.35 0.42 -3.60 0.92 8.25 -0.54 -4.95 115.22 111.38 1nfp n HIS 225 Ca 0.08 -0.21 -0.22 0.00 -0.26 0.00 0.00 57.72 57.11 1nfp n HIS 225 Cb 0.10 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.28 1nfp n HIS 225 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1nfp n ASN 226 N 1.21 -4.29 0.01 0.41 3.02 -0.41 -4.91 115.26 110.29 1nfp n ASN 226 Ca 0.18 -0.63 -0.00 0.00 -0.03 0.00 0.00 54.58 54.11 1nfp n ASN 226 Cb 0.54 -4.82 -0.10 0.00 -0.61 0.00 0.00 39.78 34.79 1nfp n ASN 226 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1nfp n LEU 227 N -4.62 0.65 0.00 3.41 4.77 0.14 -5.04 117.00 116.32 1nfp n LEU 227 Ca -0.11 0.29 0.08 0.00 -0.03 0.00 0.00 56.01 56.24 1nfp n LEU 227 Cb 0.60 0.12 0.48 0.00 -2.33 0.00 0.00 43.42 42.30 1nfp n LEU 227 CO 0.65 0.17 0.69 -0.46 -1.33 0.00 0.00 177.39 177.11