#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f91 n GLY 2 N 0.00 1.21 3.74 2.92 0.00 0.96 -5.02 105.19 109.01 3f91 n GLY 2 Ca 0.00 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 3f91 n GLY 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f91 s SER 3 N -1.00 4.59 -0.17 1.61 1.04 -1.26 -4.69 113.70 113.81 3f91 s SER 3 Ca 0.00 2.20 -0.08 0.00 0.48 0.00 0.00 55.95 58.55 3f91 s SER 3 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 3f91 s SER 3 CO 0.00 -1.99 0.10 -0.22 0.98 0.00 0.00 173.24 172.11 3f91 s LEU 4 N -5.03 4.08 -0.01 2.42 2.96 -1.26 -0.39 118.68 121.45 3f91 s LEU 4 Ca 0.71 0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 54.76 3f91 s LEU 4 Cb -0.25 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.42 3f91 s LEU 4 CO 0.43 0.23 0.18 0.20 -1.32 0.00 0.00 176.35 176.08 3f91 s ASN 5 N 0.03 -0.05 0.05 3.68 0.01 -0.21 -2.35 114.94 116.10 3f91 s ASN 5 Ca 0.08 -0.06 0.04 0.00 -0.71 0.00 0.00 52.86 52.21 3f91 s ASN 5 Cb -0.12 0.26 -0.04 0.00 0.41 0.00 0.00 41.25 41.76 3f91 s ASN 5 CO 0.00 -0.34 -0.04 0.00 -1.51 0.00 0.00 177.10 175.21 3f91 s ILE 7 N -1.15 0.41 -0.02 0.00 2.07 -0.53 -0.07 121.20 121.91 3f91 s ILE 7 Ca 0.21 -0.19 -0.25 0.00 -1.41 0.00 0.00 60.65 59.02 3f91 s ILE 7 Cb -0.11 -0.37 0.05 0.00 0.13 0.00 0.00 42.46 42.16 3f91 s ILE 7 CO 0.12 0.13 0.54 0.54 -1.91 0.00 0.00 174.94 174.37 3f91 s VAL 8 N 0.10 0.02 -0.08 4.00 0.11 -0.66 -4.52 120.40 119.37 3f91 s VAL 8 Ca -0.01 -0.18 0.03 0.00 -2.93 0.00 0.00 61.98 58.89 3f91 s VAL 8 Cb -0.05 -0.88 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 3f91 s VAL 8 CO -0.00 -0.10 -0.17 0.00 -3.33 0.00 0.00 175.10 171.50 3f91 s ALA 9 N -1.47 2.52 -0.02 1.54 0.00 -1.26 -1.29 121.76 121.79 3f91 s ALA 9 Ca -0.11 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 3f91 s ALA 9 Cb -0.02 -0.98 0.02 0.00 0.00 0.00 0.00 23.12 22.15 3f91 s ALA 9 CO 0.06 0.41 0.03 0.54 0.00 0.00 0.00 175.76 176.80 3f91 s VAL 10 N -0.19 -0.04 0.93 0.00 0.11 0.13 -4.65 120.40 116.70 3f91 s VAL 10 Ca -0.01 0.16 -0.13 0.00 -2.93 0.00 0.00 61.98 59.08 3f91 s VAL 10 Cb -0.13 -0.08 0.15 0.00 -1.53 0.00 0.00 36.38 34.79 3f91 s VAL 10 CO 0.03 0.07 1.14 -0.94 -3.33 0.00 0.00 175.10 172.07 3f91 s SER 11 N 0.82 3.29 0.42 3.54 1.04 -0.34 -0.79 113.70 121.69 3f91 s SER 11 Ca -0.07 0.93 0.11 0.00 0.48 0.00 0.00 55.95 57.40 3f91 s SER 11 Cb -0.10 -1.47 0.96 0.00 0.10 0.00 0.00 66.02 65.51 3f91 s SER 11 CO -0.02 -2.68 2.01 1.56 0.98 0.00 0.00 173.24 175.08 3f91 h GLN 12 N -1.59 0.45 -0.86 4.02 4.20 -0.94 -0.02 115.11 120.37 3f91 h GLN 12 Ca -0.50 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.07 3f91 h GLN 12 Cb 1.33 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.94 3f91 h GLN 12 CO 0.59 0.30 0.14 0.27 -0.67 0.00 0.00 178.83 179.47 3f91 n ASN 13 N -4.47 3.54 -0.77 1.46 6.94 -1.26 -4.89 115.26 115.81 3f91 n ASN 13 Ca 0.07 -2.66 -0.10 0.00 -0.02 0.00 0.00 54.58 51.87 3f91 n ASN 13 Cb 0.24 -0.64 -0.04 0.00 -2.36 0.00 0.00 39.78 36.98 3f91 n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3f91 n MET 14 N 0.05 -0.78 -2.97 -3.83 2.81 -0.02 -4.96 117.12 107.41 3f91 n MET 14 Ca 0.22 0.84 -0.40 0.00 -1.81 0.00 0.00 57.70 56.55 3f91 n MET 14 Cb 0.92 -4.78 -0.06 0.00 -0.71 0.00 0.00 33.22 28.59 3f91 n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3f91 s GLY 15 N -2.82 2.90 0.00 3.03 0.00 -1.25 0.18 107.32 109.36 3f91 s GLY 15 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.07 3f91 s GLY 15 CO 0.00 0.94 0.00 0.29 0.00 0.00 0.00 173.10 174.33 3f91 n ILE 16 N 1.88 0.00 -3.50 0.90 -5.35 0.15 -1.20 119.36 112.25 3f91 n ILE 16 Ca -0.05 -0.27 -0.11 0.00 -0.27 0.00 0.00 62.75 62.05 3f91 n ILE 16 Cb 0.49 0.84 -0.03 0.00 -1.74 0.00 0.00 39.64 39.20 3f91 n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3f91 s GLY 17 N -0.90 -0.50 -0.19 3.28 0.00 -1.12 -4.40 107.32 103.49 3f91 s GLY 17 Ca 0.00 1.09 -0.08 0.00 0.00 0.00 0.00 44.72 45.73 3f91 s GLY 17 CO 0.00 0.51 0.42 1.25 0.00 0.00 0.00 173.10 175.28 3f91 s LYS 18 N -2.62 0.34 -1.45 2.90 2.20 0.01 -0.25 119.74 120.88 3f91 s LYS 18 Ca -0.00 0.97 -0.11 0.00 -0.36 0.00 0.00 55.97 56.47 3f91 s LYS 18 Cb -0.01 0.22 0.07 0.00 -1.51 0.00 0.00 37.83 36.61 3f91 s LYS 18 CO -0.05 -0.22 0.72 0.09 -0.36 0.00 0.00 175.35 175.52 3f91 n ASN 19 N 5.06 -4.52 -0.04 1.43 3.02 -1.26 -1.77 115.26 117.18 3f91 n ASN 19 Ca -0.13 -0.56 -0.01 0.00 -0.03 0.00 0.00 54.58 53.86 3f91 n ASN 19 Cb 0.51 -3.66 -0.00 0.00 -0.61 0.00 0.00 39.78 36.02 3f91 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f91 n GLY 20 N -1.44 0.47 3.37 7.41 0.00 -1.26 -5.01 105.19 108.72 3f91 n GLY 20 Ca -0.00 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 3f91 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f91 s ASP 21 N -2.53 1.96 0.47 1.61 -1.08 -0.73 -4.62 116.67 111.75 3f91 s ASP 21 Ca 0.00 -1.68 -0.22 0.00 -0.52 0.00 0.00 52.55 50.13 3f91 s ASP 21 Cb 0.00 0.51 -0.07 0.00 -1.46 0.00 0.00 42.92 41.90 3f91 s ASP 21 CO 0.00 -0.98 1.15 -0.76 0.52 0.00 0.00 175.17 175.10 3f91 s LEU 22 N -3.44 3.97 0.33 -1.34 1.43 -1.26 -0.81 118.68 117.56 3f91 s LEU 22 Ca 0.34 2.27 0.26 0.00 -1.03 0.00 0.00 54.13 55.97 3f91 s LEU 22 Cb 0.03 -4.30 1.11 0.00 0.03 0.00 0.00 46.19 43.05 3f91 s LEU 22 CO 0.21 -0.95 1.78 -0.65 0.23 0.00 0.00 176.35 176.96 3f91 h PRO 23 N 1.91 0.00 -6.15 1.29 0.11 -1.84 -3.42 132.00 123.89 3f91 h PRO 23 Ca -0.49 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.02 3f91 h PRO 23 Cb 1.25 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.23 3f91 h PRO 23 CO 0.60 0.00 -0.70 1.67 -0.21 0.00 0.00 178.00 179.35 3f91 s TRP 24 N -3.42 2.44 0.84 0.65 -2.14 -1.26 -4.78 118.94 111.26 3f91 s TRP 24 Ca 0.03 -0.33 -0.12 0.00 2.66 0.00 0.00 56.10 58.33 3f91 s TRP 24 Cb 0.09 -1.15 0.10 0.00 -3.10 0.00 0.00 33.47 29.41 3f91 s TRP 24 CO 0.41 0.65 1.19 -2.30 -2.66 0.00 0.00 176.95 174.24 3f91 n PRO 25 N -0.75 0.02 -1.67 3.25 -0.02 -1.26 -4.89 135.00 129.68 3f91 n PRO 25 Ca -0.05 0.09 -0.45 0.00 -2.02 0.00 0.00 63.50 61.06 3f91 n PRO 25 Cb 0.60 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 3f91 n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3f91 n PRO 26 N -3.54 2.10 -3.85 0.52 -0.02 -1.26 -4.95 135.00 124.00 3f91 n PRO 26 Ca 0.13 0.75 -0.34 0.00 -2.02 0.00 0.00 63.50 62.02 3f91 n PRO 26 Cb 0.51 -2.46 -0.12 0.00 -0.02 0.00 0.00 33.50 31.41 3f91 n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3f91 s LEU 27 N 0.40 4.98 0.19 2.45 1.43 -1.26 -4.92 118.68 121.95 3f91 s LEU 27 Ca 0.72 -2.39 -0.13 0.00 -1.03 0.00 0.00 54.13 51.30 3f91 s LEU 27 Cb -0.66 -1.75 0.19 0.00 0.03 0.00 0.00 46.19 43.99 3f91 s LEU 27 CO 0.45 -0.42 1.69 0.03 0.23 0.00 0.00 176.35 178.34 3f91 h ARG 28 N 7.48 0.15 -0.01 1.70 -0.00 -1.98 -0.66 114.38 121.05 3f91 h ARG 28 Ca -0.08 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.98 59.28 3f91 h ARG 28 Cb 1.00 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 30.92 3f91 h ARG 28 CO 0.66 0.10 -0.52 -0.91 0.00 0.00 0.00 179.97 179.29 3f91 h ASN 29 N 0.15 0.04 -0.38 7.04 2.35 -1.99 -0.45 115.58 122.34 3f91 h ASN 29 Ca 0.25 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.88 3f91 h ASN 29 Cb 0.36 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3f91 h ASN 29 CO -0.38 0.56 -0.14 -0.08 -1.65 0.00 0.00 177.43 175.73 3f91 h GLU 30 N 0.03 0.77 -0.87 0.81 4.22 -1.76 -0.71 114.58 117.07 3f91 h GLU 30 Ca -0.00 -0.32 0.02 0.00 0.08 0.00 0.00 59.36 59.14 3f91 h GLU 30 Cb 0.94 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.11 3f91 h GLU 30 CO 0.07 0.93 0.58 0.74 -2.18 0.00 0.00 179.01 179.15 3f91 h PHE 31 N 0.57 1.08 -0.66 0.92 0.04 -0.96 -1.78 116.94 116.14 3f91 h PHE 31 Ca 0.09 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 3f91 h PHE 31 Cb 0.68 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 38.44 3f91 h PHE 31 CO 0.05 0.66 0.35 0.00 -0.60 0.00 0.00 178.31 178.77 3f91 h ARG 32 N 1.14 0.94 -0.14 1.51 3.08 -0.66 -1.54 114.38 118.71 3f91 h ARG 32 Ca 0.33 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.27 3f91 h ARG 32 Cb -0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3f91 h ARG 32 CO -0.08 0.72 0.06 -0.92 -1.07 0.00 0.00 179.97 178.68 3f91 h TYR 33 N 0.91 0.12 -0.44 3.04 5.03 -0.77 0.13 116.97 124.99 3f91 h TYR 33 Ca 0.23 0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.64 3f91 h TYR 33 Cb 0.06 -0.03 -0.08 0.00 1.55 0.00 0.00 36.73 38.23 3f91 h TYR 33 CO -0.00 0.07 -0.08 0.35 -1.32 0.00 0.00 178.16 177.18 3f91 h PHE 34 N 0.14 -0.17 -0.37 -3.82 3.57 -1.08 -0.47 116.94 114.73 3f91 h PHE 34 Ca 0.05 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 3f91 h PHE 34 Cb 0.01 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3f91 h PHE 34 CO -0.09 -0.16 0.16 0.77 -2.23 0.00 0.00 178.31 176.75 3f91 h SER 35 N 0.03 0.51 0.18 0.41 0.02 -0.87 -1.85 113.55 111.97 3f91 h SER 35 Ca 0.21 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3f91 h SER 35 Cb 0.32 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3f91 h SER 35 CO -0.43 0.53 -0.14 -0.09 -1.14 0.00 0.00 176.83 175.56 3f91 h ARG 36 N 0.46 -0.32 -0.17 3.45 2.43 -0.41 -0.67 114.38 119.15 3f91 h ARG 36 Ca 0.13 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3f91 h ARG 36 Cb 0.17 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3f91 h ARG 36 CO -0.01 -0.21 0.09 0.52 -1.51 0.00 0.00 179.97 178.84 3f91 h MET 37 N -0.33 0.25 -0.01 0.20 2.86 -1.04 -1.59 114.93 115.26 3f91 h MET 37 Ca -0.01 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.45 3f91 h MET 37 Cb 0.29 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3f91 h MET 37 CO -0.01 0.28 -0.69 1.79 1.06 0.00 0.00 176.91 179.33 3f91 h THR 38 N 0.16 1.47 0.11 2.22 1.35 -1.34 -3.31 112.91 113.57 3f91 h THR 38 Ca 0.06 -2.32 -0.29 0.00 -0.55 0.00 0.00 66.41 63.31 3f91 h THR 38 Cb 0.11 2.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.77 3f91 h THR 38 CO -0.01 0.67 -1.44 0.74 -0.25 0.00 0.00 175.52 175.23 3f91 h THR 39 N 0.05 1.25 -2.82 6.82 2.02 -1.04 -3.43 112.91 115.76 3f91 h THR 39 Ca -0.01 -2.89 -0.57 0.00 0.77 0.00 0.00 66.41 63.71 3f91 h THR 39 Cb 1.23 2.79 -0.03 0.00 -1.74 0.00 0.00 68.15 70.40 3f91 h THR 39 CO 0.10 0.83 1.18 -0.89 0.37 0.00 0.00 175.52 177.11 3f91 s THR 40 N -2.63 3.64 -0.17 3.16 2.01 -0.61 -4.61 115.64 116.43 3f91 s THR 40 Ca -0.07 0.68 -0.05 0.00 0.31 0.00 0.00 61.69 62.56 3f91 s THR 40 Cb 0.07 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 3f91 s THR 40 CO 0.86 -0.43 0.00 -0.55 -0.69 0.00 0.00 174.62 173.81 3f91 s SER 41 N 4.97 5.05 0.32 3.53 0.15 -1.26 -4.95 113.70 121.51 3f91 s SER 41 Ca 0.73 -0.08 0.26 0.00 0.70 0.00 0.00 55.95 57.56 3f91 s SER 41 Cb -0.22 -1.85 1.05 0.00 -1.71 0.00 0.00 66.02 63.29 3f91 s SER 41 CO 0.32 0.15 1.77 0.77 1.20 0.00 0.00 173.24 177.45 3f91 h SER 42 N 6.89 0.00 -3.30 5.45 4.64 -1.94 -3.45 113.55 121.84 3f91 h SER 42 Ca -0.34 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.31 3f91 h SER 42 Cb 1.18 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.94 3f91 h SER 42 CO 0.64 0.00 -0.80 -0.69 -0.87 0.00 0.00 176.83 175.12 3f91 s VAL 43 N -3.38 2.56 0.41 0.95 1.01 -1.26 -5.10 120.40 115.59 3f91 s VAL 43 Ca 0.04 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 3f91 s VAL 43 Cb 0.09 -2.18 -0.10 0.00 0.00 0.00 0.00 36.38 34.19 3f91 s VAL 43 CO 0.44 0.40 1.42 -0.62 0.00 0.00 0.00 175.10 176.74 3f91 n GLU 44 N 4.66 2.37 -1.05 2.72 1.02 -1.26 -2.33 120.64 126.78 3f91 n GLU 44 Ca -0.19 0.84 -0.02 0.00 -0.02 0.00 0.00 57.16 57.77 3f91 n GLU 44 Cb 0.49 -2.58 -0.01 0.00 -0.02 0.00 0.00 31.44 29.32 3f91 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3f91 n GLY 45 N 0.58 0.46 3.38 0.62 0.00 -1.26 -5.02 105.19 103.95 3f91 n GLY 45 Ca 0.04 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 3f91 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f91 s LYS 46 N -1.10 1.42 0.21 1.61 1.02 -0.98 -4.81 119.74 117.11 3f91 s LYS 46 Ca 0.00 -1.63 0.10 0.00 0.02 0.00 0.00 55.97 54.46 3f91 s LYS 46 Cb 0.00 -1.30 -0.05 0.00 -0.52 0.00 0.00 37.83 35.97 3f91 s LYS 46 CO 0.00 0.23 -0.20 -0.65 -0.92 0.00 0.00 175.35 173.81 3f91 s GLN 47 N -3.57 1.46 0.51 1.68 -0.21 -0.35 -4.86 119.66 114.31 3f91 s GLN 47 Ca 0.24 -1.56 -0.18 0.00 0.02 0.00 0.00 55.36 53.88 3f91 s GLN 47 Cb -0.02 -1.55 -0.08 0.00 1.00 0.00 0.00 33.01 32.36 3f91 s GLN 47 CO 0.09 0.31 1.01 -0.80 -2.12 0.00 0.00 175.29 173.77 3f91 s ASN 48 N -2.99 6.43 -0.15 5.90 0.01 -1.26 -0.71 114.94 122.16 3f91 s ASN 48 Ca 0.22 1.73 -0.06 0.00 -0.71 0.00 0.00 52.86 54.04 3f91 s ASN 48 Cb -0.05 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 3f91 s ASN 48 CO 0.10 -0.72 0.05 -0.22 -1.51 0.00 0.00 177.10 174.80 3f91 s LEU 49 N -3.86 3.78 -0.16 0.60 2.96 -0.08 -1.49 118.68 120.42 3f91 s LEU 49 Ca 0.62 0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 54.61 3f91 s LEU 49 Cb -0.12 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 3f91 s LEU 49 CO 0.26 0.24 -0.01 0.68 -1.32 0.00 0.00 176.35 176.21 3f91 s VAL 50 N -0.06 4.13 -0.13 1.68 -7.23 0.55 -0.50 120.40 118.84 3f91 s VAL 50 Ca 0.06 -0.27 -0.00 0.00 -1.81 0.00 0.00 61.98 59.96 3f91 s VAL 50 Cb -0.12 -2.82 -0.01 0.00 0.56 0.00 0.00 36.38 33.98 3f91 s VAL 50 CO 0.01 0.48 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.52 3f91 s ILE 51 N 0.38 3.02 -0.00 -0.62 1.01 -0.13 -0.47 121.20 124.38 3f91 s ILE 51 Ca -0.02 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.80 3f91 s ILE 51 Cb -0.14 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.09 3f91 s ILE 51 CO 0.02 0.53 0.32 0.00 0.00 0.00 0.00 174.94 175.81 3f91 s MET 52 N 0.36 0.71 0.98 2.79 0.23 -0.64 -1.44 119.30 122.28 3f91 s MET 52 Ca -0.11 -0.25 -0.11 0.00 -1.03 0.00 0.00 55.69 54.19 3f91 s MET 52 Cb -0.16 0.31 0.18 0.00 -1.53 0.00 0.00 34.83 33.63 3f91 s MET 52 CO 0.06 -0.21 1.09 0.20 -2.03 0.00 0.00 175.02 174.13 3f91 s GLY 53 N -1.48 1.62 0.15 3.16 0.00 0.28 -0.10 107.32 110.95 3f91 s GLY 53 Ca -0.12 0.13 -0.15 0.00 0.00 0.00 0.00 44.72 44.59 3f91 s GLY 53 CO 0.03 0.66 1.75 1.70 0.00 0.00 0.00 173.10 177.24 3f91 h LYS 54 N -1.95 0.66 -0.57 2.90 3.64 -1.80 -1.90 116.57 117.56 3f91 h LYS 54 Ca -0.51 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 58.70 3f91 h LYS 54 Cb 1.29 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 3f91 h LYS 54 CO 0.49 0.54 0.01 -0.22 -2.27 0.00 0.00 179.45 178.00 3f91 h LYS 55 N 0.61 0.97 -0.00 1.90 3.64 -1.93 -2.30 116.57 119.46 3f91 h LYS 55 Ca 0.16 -0.29 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3f91 h LYS 55 Cb 0.08 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3f91 h LYS 55 CO -0.02 0.95 -0.03 1.15 -2.27 0.00 0.00 179.45 179.22 3f91 h THR 56 N 0.90 0.91 -0.70 1.00 2.02 -1.83 -0.93 112.91 114.28 3f91 h THR 56 Ca 0.17 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.43 3f91 h THR 56 Cb 0.51 0.91 -0.11 0.00 -1.74 0.00 0.00 68.15 67.72 3f91 h THR 56 CO 0.02 0.00 -0.53 -0.25 0.37 0.00 0.00 175.52 175.14 3f91 h TRP 57 N -0.06 -1.63 0.00 3.16 2.91 -1.18 -2.22 115.95 116.93 3f91 h TRP 57 Ca 0.02 0.10 0.00 0.00 1.13 0.00 0.00 58.89 60.14 3f91 h TRP 57 Cb 0.08 0.81 0.00 0.00 -0.51 0.00 0.00 29.16 29.54 3f91 h TRP 57 CO -0.11 -0.43 0.00 0.74 -1.03 0.00 0.00 178.44 177.61 3f91 h PHE 58 N -0.19 0.00 0.00 2.65 -1.00 -1.15 -2.00 116.94 115.25 3f91 h PHE 58 Ca 0.15 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.93 3f91 h PHE 58 Cb 0.52 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.08 3f91 h PHE 58 CO -0.84 0.00 0.00 0.66 -1.61 0.00 0.00 178.31 176.52 3f91 h SER 59 N 0.00 0.00 -3.36 2.17 4.64 -0.55 -3.44 113.55 113.01 3f91 h SER 59 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 3f91 h SER 59 Cb 0.36 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.41 3f91 h SER 59 CO 0.00 0.00 0.30 -0.63 -0.87 0.00 0.00 176.83 175.63 3f91 s ILE 60 N -3.24 4.92 0.31 0.95 1.01 -0.75 -4.90 121.20 119.50 3f91 s ILE 60 Ca 0.07 1.79 -0.29 0.00 0.00 0.00 0.00 60.65 62.22 3f91 s ILE 60 Cb 0.10 -4.20 -0.12 0.00 0.01 0.00 0.00 42.46 38.25 3f91 s ILE 60 CO 0.55 0.15 1.43 -2.65 0.00 0.00 0.00 174.94 174.42 3f91 n PRO 61 N 4.18 2.33 -0.36 2.79 -0.02 -1.26 -4.81 135.00 137.85 3f91 n PRO 61 Ca 0.04 0.82 0.26 0.00 -2.02 0.00 0.00 63.50 62.60 3f91 n PRO 61 Cb 0.51 -2.50 0.51 0.00 -0.02 0.00 0.00 33.50 32.00 3f91 n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3f91 h GLU 62 N 3.66 0.29 0.00 -0.52 4.81 -1.93 0.28 114.58 121.17 3f91 h GLU 62 Ca -0.47 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3f91 h GLU 62 Cb 1.26 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 3f91 h GLU 62 CO 0.71 0.19 -0.00 1.57 -0.73 0.00 0.00 179.01 180.75 3f91 h LYS 63 N 0.30 0.00 -0.24 1.92 2.10 -2.00 -1.85 116.57 116.80 3f91 h LYS 63 Ca 0.72 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.37 3f91 h LYS 63 Cb 1.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.14 3f91 h LYS 63 CO -0.50 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.14 3f91 n PHE 64 N -3.09 0.29 -4.05 0.07 3.72 0.99 -4.94 117.46 110.46 3f91 n PHE 64 Ca -0.01 -0.14 -0.36 0.00 -0.05 0.00 0.00 57.45 56.89 3f91 n PHE 64 Cb 0.20 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.66 3f91 n PHE 64 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3f91 s ARG 65 N -1.71 3.42 0.73 -1.08 0.52 -0.70 -2.81 118.95 117.33 3f91 s ARG 65 Ca 0.34 -0.26 -0.14 0.00 -0.52 0.00 0.00 55.73 55.16 3f91 s ARG 65 Cb 0.22 -3.08 0.04 0.00 0.52 0.00 0.00 34.95 32.65 3f91 s ARG 65 CO 0.31 0.65 1.15 -1.25 0.02 0.00 0.00 175.30 176.18 3f91 s PRO 66 N -0.69 2.25 -0.26 3.54 0.04 -1.25 -4.98 135.00 133.66 3f91 s PRO 66 Ca 0.12 1.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.37 3f91 s PRO 66 Cb -0.12 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 3f91 s PRO 66 CO 0.03 -1.70 2.18 1.28 0.04 0.00 0.00 177.00 178.83 3f91 n LEU 67 N -2.92 2.85 -4.77 -3.56 4.77 -1.12 -4.87 117.00 107.37 3f91 n LEU 67 Ca 0.11 0.35 -0.40 0.00 -0.03 0.00 0.00 56.01 56.04 3f91 n LEU 67 Cb 0.51 -1.43 0.01 0.00 -2.33 0.00 0.00 43.42 40.18 3f91 n LEU 67 CO 0.49 -0.65 1.09 -1.59 -1.33 0.00 0.00 177.39 175.40 3f91 s LYS 68 N 6.11 3.88 0.00 3.23 -2.85 -1.26 -2.60 119.74 126.26 3f91 s LYS 68 Ca 1.04 2.48 0.00 0.00 -1.00 0.00 0.00 55.97 58.48 3f91 s LYS 68 Cb -0.57 -2.80 0.00 0.00 -2.06 0.00 0.00 37.83 32.41 3f91 s LYS 68 CO 0.42 -0.68 0.00 0.41 0.10 0.00 0.00 175.35 175.60 3f91 n GLY 69 N 0.53 0.44 3.21 0.59 0.00 -1.26 -4.96 105.19 103.75 3f91 n GLY 69 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 3f91 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f91 s ARG 70 N -0.53 0.96 -0.10 1.61 0.52 -1.07 -4.47 118.95 115.88 3f91 s ARG 70 Ca 0.00 -0.98 -0.27 0.00 -0.52 0.00 0.00 55.73 53.95 3f91 s ARG 70 Cb 0.00 -1.05 -0.02 0.00 0.52 0.00 0.00 34.95 34.40 3f91 s ARG 70 CO 0.00 0.24 0.90 0.42 0.02 0.00 0.00 175.30 176.88 3f91 s ILE 71 N -1.14 4.88 -0.32 1.52 1.01 -0.56 -4.76 121.20 121.82 3f91 s ILE 71 Ca 0.02 1.82 -0.09 0.00 0.00 0.00 0.00 60.65 62.39 3f91 s ILE 71 Cb -0.10 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.16 3f91 s ILE 71 CO 0.03 0.09 0.15 0.20 0.00 0.00 0.00 174.94 175.40 3f91 s ASN 72 N 1.04 5.52 -0.16 3.58 0.02 -1.26 -0.33 114.94 123.35 3f91 s ASN 72 Ca 0.44 -0.67 -0.02 0.00 -1.02 0.00 0.00 52.86 51.60 3f91 s ASN 72 Cb -0.18 -1.98 -0.01 0.00 0.02 0.00 0.00 41.25 39.09 3f91 s ASN 72 CO 0.18 -0.24 -0.09 -0.22 0.02 0.00 0.00 177.10 176.75 3f91 s LEU 73 N 1.58 2.83 -0.12 0.60 0.20 0.38 -1.08 118.68 123.06 3f91 s LEU 73 Ca 0.04 -0.33 -0.05 0.00 0.69 0.00 0.00 54.13 54.48 3f91 s LEU 73 Cb -0.18 -1.67 -0.04 0.00 -0.43 0.00 0.00 46.19 43.88 3f91 s LEU 73 CO 0.06 0.11 0.06 -0.69 -0.29 0.00 0.00 176.35 175.59 3f91 s VAL 74 N 0.72 4.80 -0.21 1.68 1.01 -0.10 -1.63 120.40 126.67 3f91 s VAL 74 Ca -0.04 -0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 3f91 s VAL 74 Cb -0.15 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3f91 s VAL 74 CO 0.02 0.57 0.34 -0.76 0.00 0.00 0.00 175.10 175.28 3f91 s LEU 75 N -0.62 4.15 -0.28 3.92 1.43 0.86 -1.38 118.68 126.77 3f91 s LEU 75 Ca 0.11 0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 53.40 3f91 s LEU 75 Cb -0.12 -2.42 0.11 0.00 0.03 0.00 0.00 46.19 43.79 3f91 s LEU 75 CO 0.02 -0.04 0.95 -0.55 0.23 0.00 0.00 176.35 176.97 3f91 s SER 76 N 1.01 -0.53 0.05 2.29 0.15 -0.67 -2.22 113.70 113.78 3f91 s SER 76 Ca 0.17 1.00 0.22 0.00 0.70 0.00 0.00 55.95 58.04 3f91 s SER 76 Cb -0.14 1.04 -0.17 0.00 -1.71 0.00 0.00 66.02 65.03 3f91 s SER 76 CO 0.07 -0.17 0.76 0.54 1.20 0.00 0.00 173.24 175.64 3f91 n ARG 77 N 2.45 0.54 0.10 5.44 1.74 -1.26 -4.18 116.66 121.49 3f91 n ARG 77 Ca -0.13 -0.06 -0.23 0.00 -0.77 0.00 0.00 57.85 56.65 3f91 n ARG 77 Cb 0.56 -1.62 -0.15 0.00 -1.02 0.00 0.00 32.46 30.23 3f91 n ARG 77 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3f91 h GLU 78 N 0.00 0.43 -7.07 5.56 5.08 -1.98 -3.47 114.58 113.14 3f91 h GLU 78 Ca 0.00 -0.73 -0.52 0.00 -1.00 0.00 0.00 59.36 57.10 3f91 h GLU 78 Cb 0.93 0.27 0.10 0.00 0.50 0.00 0.00 28.75 30.55 3f91 h GLU 78 CO 0.00 1.35 0.49 -0.51 -1.00 0.00 0.00 179.01 179.34 3f91 s LEU 79 N -7.63 3.79 -0.01 1.33 1.43 -1.26 -4.96 118.68 111.37 3f91 s LEU 79 Ca -0.12 2.41 0.15 0.00 -1.03 0.00 0.00 54.13 55.53 3f91 s LEU 79 Cb 0.03 -4.46 -0.19 0.00 0.03 0.00 0.00 46.19 41.60 3f91 s LEU 79 CO 0.88 -1.39 0.53 0.29 0.23 0.00 0.00 176.35 176.90 3f91 n LYS 80 N -1.21 1.44 -3.72 1.70 4.76 -1.26 -5.00 118.16 114.89 3f91 n LYS 80 Ca 0.11 -0.05 -0.10 0.00 -2.87 0.00 0.00 58.31 55.40 3f91 n LYS 80 Cb 0.49 -1.27 -0.05 0.00 -1.84 0.00 0.00 35.03 32.35 3f91 n LYS 80 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3f91 s GLU 81 N -2.67 1.07 0.36 1.97 -1.05 -1.26 -5.13 118.70 111.99 3f91 s GLU 81 Ca 0.01 -0.81 -0.28 0.00 -0.15 0.00 0.00 54.97 53.74 3f91 s GLU 81 Cb 0.11 0.44 -0.12 0.00 -0.44 0.00 0.00 34.13 34.12 3f91 s GLU 81 CO 0.63 -0.41 1.39 -2.30 0.95 0.00 0.00 175.26 175.52 3f91 n PRO 82 N -0.20 2.39 -1.09 -4.83 -0.02 -1.26 -4.95 135.00 125.03 3f91 n PRO 82 Ca -0.14 0.84 -0.35 0.00 -2.02 0.00 0.00 63.50 61.82 3f91 n PRO 82 Cb 0.63 -2.49 0.08 0.00 -0.02 0.00 0.00 33.50 31.70 3f91 n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3f91 n PRO 83 N 0.53 0.09 -1.65 0.52 -0.02 -1.26 -4.81 135.00 128.39 3f91 n PRO 83 Ca 0.03 0.07 -0.53 0.00 -2.02 0.00 0.00 63.50 61.06 3f91 n PRO 83 Cb 0.37 -1.78 -0.06 0.00 -0.02 0.00 0.00 33.50 32.01 3f91 n PRO 83 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3f91 n GLN 84 N -0.84 1.42 0.00 -0.52 7.27 -1.26 -1.05 117.38 122.39 3f91 n GLN 84 Ca 0.08 0.52 0.00 0.00 0.07 0.00 0.00 57.00 57.67 3f91 n GLN 84 Cb 0.51 -2.22 0.00 0.00 2.41 0.00 0.00 30.24 30.95 3f91 n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3f91 n GLY 85 N 3.47 3.26 3.86 1.69 0.00 -1.26 -4.92 105.19 111.28 3f91 n GLY 85 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3f91 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f91 s ALA 86 N -2.27 3.19 -0.18 4.61 0.00 -0.22 -3.91 121.76 122.98 3f91 s ALA 86 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.00 3f91 s ALA 86 Cb 0.00 -2.94 -0.22 0.00 0.00 0.00 0.00 23.12 19.96 3f91 s ALA 86 CO 0.00 -0.12 0.13 0.72 0.00 0.00 0.00 175.76 176.48 3f91 n HIS 87 N -1.41 0.60 -4.07 0.00 -0.00 -0.24 -4.80 115.22 105.30 3f91 n HIS 87 Ca 0.05 0.14 -0.07 0.00 -0.00 0.00 0.00 57.72 57.83 3f91 n HIS 87 Cb 0.54 -1.08 -0.10 0.00 -0.00 0.00 0.00 29.99 29.34 3f91 n HIS 87 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3f91 s PHE 88 N -2.54 0.49 -0.06 4.41 0.08 -0.76 -4.96 117.98 114.63 3f91 s PHE 88 Ca -0.24 -0.97 0.02 0.00 0.12 0.00 0.00 56.93 55.86 3f91 s PHE 88 Cb 0.08 -0.36 0.02 0.00 -0.57 0.00 0.00 43.02 42.18 3f91 s PHE 88 CO 0.71 -0.34 -0.09 -1.17 -0.10 0.00 0.00 175.22 174.23 3f91 s LEU 89 N -2.66 1.51 0.12 -0.37 2.96 -1.26 -0.92 118.68 118.07 3f91 s LEU 89 Ca 0.03 -0.23 0.06 0.00 -0.22 0.00 0.00 54.13 53.77 3f91 s LEU 89 Cb 0.05 -0.68 -0.04 0.00 0.50 0.00 0.00 46.19 46.02 3f91 s LEU 89 CO -0.08 -0.00 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.36 3f91 s SER 90 N 0.78 2.09 0.00 3.68 0.01 -0.48 -4.97 113.70 114.81 3f91 s SER 90 Ca -0.13 -0.81 0.26 0.00 1.31 0.00 0.00 55.95 56.59 3f91 s SER 90 Cb -0.15 -0.08 0.67 0.00 0.21 0.00 0.00 66.02 66.67 3f91 s SER 90 CO 0.02 -0.12 1.51 0.54 0.41 0.00 0.00 173.24 175.60 3f91 n ARG 91 N 0.55 1.05 -3.57 12.44 1.74 -1.26 -1.67 116.66 125.93 3f91 n ARG 91 Ca -0.15 -0.67 -0.08 0.00 -0.77 0.00 0.00 57.85 56.17 3f91 n ARG 91 Cb 0.57 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.50 3f91 n ARG 91 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3f91 s SER 92 N -2.41 -0.36 0.16 0.55 1.04 -1.26 -4.68 113.70 106.73 3f91 s SER 92 Ca 0.25 -0.13 -0.14 0.00 0.48 0.00 0.00 55.95 56.41 3f91 s SER 92 Cb 0.19 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.84 3f91 s SER 92 CO 0.50 -0.81 1.77 0.25 0.98 0.00 0.00 173.24 175.92 3f91 h LEU 93 N 2.00 0.64 -0.67 2.42 5.85 -1.99 -1.03 115.31 122.53 3f91 h LEU 93 Ca -0.25 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 3f91 h LEU 93 Cb 1.25 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 3f91 h LEU 93 CO 0.31 0.56 0.39 0.44 -0.34 0.00 0.00 178.44 179.79 3f91 h ASP 94 N 0.68 0.82 -0.47 1.25 3.45 -1.99 -0.66 116.42 119.50 3f91 h ASP 94 Ca 0.18 -0.08 0.02 0.00 0.43 0.00 0.00 57.03 57.58 3f91 h ASP 94 Cb 0.06 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 38.59 3f91 h ASP 94 CO -0.03 0.65 0.29 0.44 -1.57 0.00 0.00 179.24 179.03 3f91 h ASP 95 N 0.91 0.48 -0.28 6.45 5.19 -1.90 0.31 116.42 127.58 3f91 h ASP 95 Ca 0.24 -0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.69 3f91 h ASP 95 Cb 0.00 -0.10 -0.04 0.00 0.18 0.00 0.00 39.33 39.37 3f91 h ASP 95 CO -0.04 0.34 0.03 0.00 -3.12 0.00 0.00 179.24 176.45 3f91 h ALA 96 N 1.20 0.27 -0.65 3.45 0.00 -0.68 -1.00 119.26 121.84 3f91 h ALA 96 Ca 0.19 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3f91 h ALA 96 Cb -0.01 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3f91 h ALA 96 CO -0.07 -0.39 0.09 -0.07 0.00 0.00 0.00 179.25 178.81 3f91 h LEU 97 N 0.12 1.03 -0.55 0.00 3.38 -0.86 -2.58 115.31 115.85 3f91 h LEU 97 Ca 0.13 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.89 3f91 h LEU 97 Cb 0.15 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3f91 h LEU 97 CO -0.19 1.02 0.32 0.11 0.09 0.00 0.00 178.44 179.79 3f91 h LYS 98 N 1.00 0.60 -0.77 1.13 1.57 -0.76 -2.80 116.57 116.53 3f91 h LYS 98 Ca 0.20 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.97 3f91 h LYS 98 Cb 0.44 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 3f91 h LYS 98 CO 0.01 0.40 0.51 1.25 -0.57 0.00 0.00 179.45 181.05 3f91 h LEU 99 N 0.62 0.83 -2.67 2.94 6.46 -0.81 -1.23 115.31 121.45 3f91 h LEU 99 Ca 0.23 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.98 3f91 h LEU 99 Cb 0.06 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 39.80 3f91 h LEU 99 CO -0.12 0.57 0.07 0.00 -0.62 0.00 0.00 178.44 178.34 3f91 h THR 100 N 0.96 0.17 0.00 1.05 1.03 -1.19 -0.31 112.91 114.62 3f91 h THR 100 Ca 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.70 3f91 h THR 100 Cb 0.02 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 68.04 3f91 h THR 100 CO -0.08 0.00 -1.08 -0.62 -0.01 0.00 0.00 175.52 173.72 3f91 n GLU 101 N -3.31 0.40 -1.18 0.00 -0.58 -0.47 -2.65 120.64 112.85 3f91 n GLU 101 Ca -0.02 0.01 -0.34 0.00 -0.42 0.00 0.00 57.16 56.39 3f91 n GLU 101 Cb 0.14 -1.65 0.12 0.00 -0.57 0.00 0.00 31.44 29.48 3f91 n GLU 101 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3f91 n GLN 102 N -2.18 0.28 -0.33 3.49 1.13 -0.13 -4.33 117.38 115.31 3f91 n GLN 102 Ca 0.01 0.17 0.24 0.00 -1.94 0.00 0.00 57.00 55.47 3f91 n GLN 102 Cb 0.48 -2.37 0.45 0.00 0.11 0.00 0.00 30.24 28.91 3f91 n GLN 102 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 3f91 h PRO 103 N -0.72 0.04 0.00 -1.09 0.11 -1.93 0.48 132.00 128.89 3f91 h PRO 103 Ca -0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3f91 h PRO 103 Cb 1.31 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 3f91 h PRO 103 CO 0.46 0.03 -0.04 1.05 -0.21 0.00 0.00 178.00 179.28 3f91 h GLU 104 N 0.04 0.00 0.00 1.05 4.11 -1.91 -3.36 114.58 114.51 3f91 h GLU 104 Ca 0.73 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.16 3f91 h GLU 104 Cb 1.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.01 3f91 h GLU 104 CO -0.81 0.04 -0.45 1.28 0.07 0.00 0.00 179.01 179.15 3f91 n LEU 105 N -3.22 0.00 -0.31 3.06 4.77 -0.57 -4.81 117.00 115.93 3f91 n LEU 105 Ca -0.01 -0.01 0.15 0.00 -0.03 0.00 0.00 56.01 56.11 3f91 n LEU 105 Cb 0.24 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.66 3f91 n LEU 105 CO 0.26 0.00 1.03 0.00 -1.33 0.00 0.00 177.39 177.36 3f91 h ALA 106 N 0.00 1.48 0.00 -1.18 0.00 0.14 -0.61 119.26 119.09 3f91 h ALA 106 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3f91 h ALA 106 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3f91 h ALA 106 CO 0.00 -0.40 -0.50 0.27 0.00 0.00 0.00 179.25 178.62 3f91 n ASN 107 N -5.08 0.50 -0.05 0.00 6.94 -1.26 -4.39 115.26 111.92 3f91 n ASN 107 Ca 0.23 -0.23 -0.01 0.00 -0.02 0.00 0.00 54.58 54.55 3f91 n ASN 107 Cb 0.71 0.24 -0.11 0.00 -2.36 0.00 0.00 39.78 38.26 3f91 n ASN 107 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3f91 n LYS 108 N -1.52 1.27 -3.51 -3.83 5.02 -0.29 -4.81 118.16 110.49 3f91 n LYS 108 Ca 0.05 -0.05 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 3f91 n LYS 108 Cb 0.34 -1.35 -0.08 0.00 -0.02 0.00 0.00 35.03 33.92 3f91 n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3f91 s VAL 109 N -2.59 5.28 0.00 -0.18 1.01 -0.90 -1.21 120.40 121.80 3f91 s VAL 109 Ca -0.06 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3f91 s VAL 109 Cb 0.06 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3f91 s VAL 109 CO 0.58 0.32 0.00 -0.67 0.00 0.00 0.00 175.10 175.33 3f91 n ASP 110 N 4.19 0.00 -4.82 3.32 4.64 0.11 -4.20 116.55 119.78 3f91 n ASP 110 Ca -0.11 0.00 -0.33 0.00 -1.38 0.00 0.00 54.79 52.97 3f91 n ASP 110 Cb 0.52 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.55 3f91 n ASP 110 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 3f91 s MET 111 N 0.68 4.00 -0.11 -0.67 -1.94 -1.26 -0.03 119.30 119.96 3f91 s MET 111 Ca 0.00 1.09 0.01 0.00 -1.71 0.00 0.00 55.69 55.08 3f91 s MET 111 Cb 0.00 -2.14 -0.02 0.00 2.01 0.00 0.00 34.83 34.68 3f91 s MET 111 CO 0.00 -0.23 -0.13 0.54 -0.01 0.00 0.00 175.02 175.18 3f91 s VAL 112 N -2.35 3.04 -0.27 -6.03 0.11 0.48 -0.90 120.40 114.48 3f91 s VAL 112 Ca 0.62 -0.68 0.01 0.00 -2.93 0.00 0.00 61.98 58.99 3f91 s VAL 112 Cb -0.11 -2.26 0.05 0.00 -1.53 0.00 0.00 36.38 32.54 3f91 s VAL 112 CO 0.23 0.54 -0.07 0.26 -3.33 0.00 0.00 175.10 172.72 3f91 s TRP 113 N 0.09 3.22 -0.29 1.54 0.52 0.34 -1.04 118.94 123.32 3f91 s TRP 113 Ca -0.06 -2.05 -0.29 0.00 0.02 0.00 0.00 56.10 53.72 3f91 s TRP 113 Cb -0.15 -2.00 0.02 0.00 -1.15 0.00 0.00 33.47 30.19 3f91 s TRP 113 CO 0.05 -0.83 1.06 0.42 0.02 0.00 0.00 176.95 177.67 3f91 s ILE 114 N 1.19 4.56 -0.59 2.03 1.01 0.65 -0.96 121.20 129.08 3f91 s ILE 114 Ca -0.06 1.82 0.09 0.00 0.00 0.00 0.00 60.65 62.50 3f91 s ILE 114 Cb -0.19 -4.39 0.25 0.00 0.01 0.00 0.00 42.46 38.14 3f91 s ILE 114 CO -0.04 -0.39 1.20 1.33 0.00 0.00 0.00 174.94 177.04 3f91 n VAL 115 N 5.71 1.15 0.00 2.92 0.24 -0.52 -1.45 118.33 126.39 3f91 n VAL 115 Ca 0.12 -1.13 0.00 0.00 -2.04 0.00 0.00 64.34 61.29 3f91 n VAL 115 Cb 0.47 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 3f91 n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3f91 n GLY 116 N 0.09 1.22 0.00 7.63 0.00 -1.26 -4.96 105.19 107.92 3f91 n GLY 116 Ca 0.10 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.83 3f91 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f91 n GLY 117 N -0.95 1.89 0.20 -0.02 0.00 -1.26 -0.56 105.19 104.49 3f91 n GLY 117 Ca 0.00 -1.79 -0.07 0.00 0.00 0.00 0.00 46.02 44.16 3f91 n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3f91 h SER 118 N 0.00 -0.49 0.17 1.61 0.02 -1.98 -1.61 113.55 111.28 3f91 h SER 118 Ca 0.00 0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 3f91 h SER 118 Cb 0.00 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3f91 h SER 118 CO 0.00 -0.18 -0.31 0.77 -1.14 0.00 0.00 176.83 175.97 3f91 h SER 119 N -0.11 0.21 -0.10 3.07 4.64 -1.96 0.42 113.55 119.73 3f91 h SER 119 Ca 0.15 -0.07 -0.11 0.00 -0.47 0.00 0.00 61.79 61.29 3f91 h SER 119 Cb 0.34 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3f91 h SER 119 CO -0.36 0.52 -0.39 0.58 -0.87 0.00 0.00 176.83 176.32 3f91 h VAL 120 N 0.19 1.39 -0.07 0.95 2.07 -1.75 -2.34 116.25 116.69 3f91 h VAL 120 Ca 0.03 -1.73 0.03 0.00 0.82 0.00 0.00 66.70 65.84 3f91 h VAL 120 Cb 0.64 2.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 3f91 h VAL 120 CO 0.05 0.51 -0.14 1.88 0.02 0.00 0.00 177.57 179.89 3f91 h TYR 121 N -0.00 -0.34 -0.27 1.57 0.99 -1.04 -1.50 116.97 116.37 3f91 h TYR 121 Ca -0.02 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.78 3f91 h TYR 121 Cb 1.02 0.16 -0.05 0.00 1.00 0.00 0.00 36.73 38.87 3f91 h TYR 121 CO 0.12 -0.20 -0.02 -0.22 -0.00 0.00 0.00 178.16 177.83 3f91 h LYS 122 N -0.20 0.05 -0.37 4.88 3.64 -0.84 -0.16 116.57 123.58 3f91 h LYS 122 Ca 0.07 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3f91 h LYS 122 Cb 0.29 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3f91 h LYS 122 CO -0.18 0.03 0.13 1.49 -2.27 0.00 0.00 179.45 178.66 3f91 h GLU 123 N 0.05 0.56 -0.59 1.90 4.81 -1.34 -2.24 114.58 117.73 3f91 h GLU 123 Ca 0.13 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3f91 h GLU 123 Cb 0.18 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 3f91 h GLU 123 CO -0.24 0.55 0.32 0.00 -0.73 0.00 0.00 179.01 178.91 3f91 h ALA 124 N 0.98 0.77 0.00 2.92 0.00 -0.95 -2.32 119.26 120.65 3f91 h ALA 124 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3f91 h ALA 124 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3f91 h ALA 124 CO -0.01 -0.00 0.00 0.52 0.00 0.00 0.00 179.25 179.76 3f91 h MET 125 N 0.61 0.00 -0.02 0.00 2.86 -0.65 -2.97 114.93 114.76 3f91 h MET 125 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 3f91 h MET 125 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3f91 h MET 125 CO -0.16 0.00 -0.17 0.09 1.06 0.00 0.00 176.91 177.74 3f91 n ASN 126 N -2.74 2.07 -4.70 1.22 4.13 -0.88 -4.95 115.26 109.41 3f91 n ASN 126 Ca 0.02 -1.53 -0.39 0.00 1.68 0.00 0.00 54.58 54.36 3f91 n ASN 126 Cb 0.35 0.23 -0.06 0.00 -1.54 0.00 0.00 39.78 38.76 3f91 n ASN 126 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 3f91 s HIS 127 N -1.69 3.49 0.61 3.10 2.46 -0.89 -5.03 115.29 117.34 3f91 s HIS 127 Ca 0.17 0.96 -0.19 0.00 0.47 0.00 0.00 55.06 56.47 3f91 s HIS 127 Cb 0.14 -2.66 -0.03 0.00 -0.13 0.00 0.00 32.58 29.90 3f91 s HIS 127 CO 0.31 0.07 1.27 -2.30 -2.47 0.00 0.00 174.74 171.62 3f91 n PRO 128 N 4.04 1.26 0.00 2.88 -0.02 -1.26 -4.88 135.00 137.02 3f91 n PRO 128 Ca -0.05 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3f91 n PRO 128 Cb 0.51 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3f91 n PRO 128 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f91 n GLY 129 N 0.92 0.93 3.62 -1.23 0.00 -1.25 -4.95 105.19 103.23 3f91 n GLY 129 Ca 0.14 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 3f91 n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3f91 s HIS 130 N -1.09 3.24 -0.11 1.61 2.46 -1.26 -2.74 115.29 117.41 3f91 s HIS 130 Ca 0.00 0.81 -0.09 0.00 0.47 0.00 0.00 55.06 56.26 3f91 s HIS 130 Cb 0.00 -3.05 0.03 0.00 -0.13 0.00 0.00 32.58 29.43 3f91 s HIS 130 CO 0.00 -0.46 0.27 -1.17 -2.47 0.00 0.00 174.74 170.91 3f91 s LEU 131 N 2.75 0.81 0.06 8.88 2.96 -0.80 -4.48 118.68 128.86 3f91 s LEU 131 Ca 0.30 0.56 0.07 0.00 -0.22 0.00 0.00 54.13 54.83 3f91 s LEU 131 Cb -0.15 0.91 -0.04 0.00 0.50 0.00 0.00 46.19 47.42 3f91 s LEU 131 CO 0.11 -0.11 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.35 3f91 s LYS 132 N 0.42 2.15 -0.22 1.98 1.02 -0.99 -1.12 119.74 122.99 3f91 s LYS 132 Ca -0.02 -0.97 -0.02 0.00 0.02 0.00 0.00 55.97 54.98 3f91 s LYS 132 Cb -0.04 -2.28 0.01 0.00 -0.52 0.00 0.00 37.83 35.00 3f91 s LYS 132 CO -0.02 0.53 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.34 3f91 s LEU 133 N -1.77 2.76 -0.48 3.17 1.02 0.54 -0.42 118.68 123.50 3f91 s LEU 133 Ca 0.18 -0.62 -0.19 0.00 0.02 0.00 0.00 54.13 53.51 3f91 s LEU 133 Cb -0.11 -1.64 0.04 0.00 0.02 0.00 0.00 46.19 44.51 3f91 s LEU 133 CO 0.09 -0.05 0.61 -0.36 0.02 0.00 0.00 176.35 176.67 3f91 s PHE 134 N 1.37 3.06 -0.20 0.29 0.40 0.89 -0.84 117.98 122.96 3f91 s PHE 134 Ca 0.04 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 3f91 s PHE 134 Cb -0.15 -3.42 0.02 0.00 0.51 0.00 0.00 43.02 39.99 3f91 s PHE 134 CO -0.07 -0.96 -0.17 0.08 0.70 0.00 0.00 175.22 174.81 3f91 s VAL 135 N 2.65 2.23 -0.28 -0.44 1.01 -0.10 -1.66 120.40 123.81 3f91 s VAL 135 Ca 0.17 -1.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 3f91 s VAL 135 Cb -0.17 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 3f91 s VAL 135 CO 0.14 0.44 0.42 -0.89 0.00 0.00 0.00 175.10 175.21 3f91 s THR 136 N 1.28 5.13 -0.60 3.92 2.01 -0.41 -0.84 115.64 126.13 3f91 s THR 136 Ca 0.03 0.57 -0.23 0.00 0.31 0.00 0.00 61.69 62.37 3f91 s THR 136 Cb -0.14 -3.77 0.06 0.00 0.01 0.00 0.00 72.50 68.66 3f91 s THR 136 CO -0.11 0.08 0.93 -0.13 -0.69 0.00 0.00 174.62 174.70 3f91 s ARG 137 N 2.16 3.20 -0.41 4.92 1.81 0.32 -0.69 118.95 130.26 3f91 s ARG 137 Ca 0.17 -0.59 -0.29 0.00 -1.72 0.00 0.00 55.73 53.30 3f91 s ARG 137 Cb -0.16 -4.14 0.02 0.00 -0.45 0.00 0.00 34.95 30.22 3f91 s ARG 137 CO 0.10 -1.63 1.20 0.42 -0.68 0.00 0.00 175.30 174.71 3f91 s ILE 138 N 3.91 4.20 -0.33 1.52 -1.09 0.03 -1.76 121.20 127.68 3f91 s ILE 138 Ca 0.25 1.27 -0.03 0.00 -2.23 0.00 0.00 60.65 59.92 3f91 s ILE 138 Cb -0.15 -4.43 0.09 0.00 -1.58 0.00 0.00 42.46 36.39 3f91 s ILE 138 CO 0.14 -0.79 2.50 0.23 -1.23 0.00 0.00 174.94 175.79 3f91 n MET 139 N 7.63 2.04 -3.97 2.79 2.81 -0.01 -2.42 117.12 125.99 3f91 n MET 139 Ca 0.13 -1.78 -0.09 0.00 -1.81 0.00 0.00 57.70 54.16 3f91 n MET 139 Cb 0.48 -1.85 -0.08 0.00 -0.71 0.00 0.00 33.22 31.06 3f91 n MET 139 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3f91 s GLN 140 N -1.42 0.92 0.27 0.03 -0.21 -1.26 -4.84 119.66 113.15 3f91 s GLN 140 Ca 0.45 -1.15 -0.21 0.00 0.02 0.00 0.00 55.36 54.47 3f91 s GLN 140 Cb 0.30 0.32 -0.09 0.00 1.00 0.00 0.00 33.01 34.54 3f91 s GLN 140 CO -0.10 -0.29 0.81 -0.51 -2.12 0.00 0.00 175.29 173.08 3f91 s ASP 141 N -2.94 7.13 -0.01 5.90 1.01 -1.26 -1.58 116.67 124.92 3f91 s ASP 141 Ca 0.12 1.56 0.00 0.00 0.71 0.00 0.00 52.55 54.94 3f91 s ASP 141 Cb 0.05 -2.47 0.01 0.00 1.01 0.00 0.00 42.92 41.52 3f91 s ASP 141 CO -0.05 -0.03 -0.00 -0.36 0.21 0.00 0.00 175.17 174.94 3f91 s PHE 142 N -1.61 0.10 0.17 4.23 0.08 -1.26 -4.97 117.98 114.72 3f91 s PHE 142 Ca 0.47 0.02 -0.32 0.00 0.12 0.00 0.00 56.93 57.21 3f91 s PHE 142 Cb -0.17 -0.13 -0.12 0.00 -0.57 0.00 0.00 43.02 42.04 3f91 s PHE 142 CO 0.21 -0.03 1.76 -1.91 -0.10 0.00 0.00 175.22 175.15 3f91 n GLU 143 N 3.39 2.74 -4.07 0.44 2.13 -1.26 -4.81 120.64 119.20 3f91 n GLU 143 Ca -0.17 0.99 -0.08 0.00 0.66 0.00 0.00 57.16 58.57 3f91 n GLU 143 Cb 0.57 -2.85 -0.10 0.00 0.27 0.00 0.00 31.44 29.32 3f91 n GLU 143 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3f91 s SER 144 N 1.76 0.48 0.00 4.31 0.01 -1.26 -4.76 113.70 114.23 3f91 s SER 144 Ca 0.78 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 57.13 3f91 s SER 144 Cb -0.51 0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.90 3f91 s SER 144 CO 0.35 -0.54 0.42 -0.90 0.41 0.00 0.00 173.24 172.97 3f91 n ASP 145 N 0.38 0.83 -3.88 2.44 5.68 0.65 -4.96 116.55 117.70 3f91 n ASP 145 Ca -0.16 -0.94 -0.12 0.00 -0.50 0.00 0.00 54.79 53.08 3f91 n ASP 145 Cb 0.60 0.11 -0.13 0.00 -1.14 0.00 0.00 41.12 40.56 3f91 n ASP 145 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3f91 s THR 146 N -0.11 0.02 0.06 2.12 -1.32 -0.91 -4.98 115.64 110.52 3f91 s THR 146 Ca 0.00 -0.17 0.05 0.00 -1.21 0.00 0.00 61.69 60.36 3f91 s THR 146 Cb 0.00 -0.11 -0.03 0.00 -1.51 0.00 0.00 72.50 70.85 3f91 s THR 146 CO 0.00 -0.09 -0.14 -0.36 -2.21 0.00 0.00 174.62 171.82 3f91 s PHE 147 N -0.27 1.18 0.29 9.09 0.40 -1.26 -0.68 117.98 126.73 3f91 s PHE 147 Ca -0.03 -0.43 -0.29 0.00 -0.60 0.00 0.00 56.93 55.58 3f91 s PHE 147 Cb -0.02 -0.67 -0.10 0.00 0.51 0.00 0.00 43.02 42.74 3f91 s PHE 147 CO -0.00 0.04 1.13 0.12 0.70 0.00 0.00 175.22 177.21 3f91 s PHE 148 N -1.14 3.49 0.82 0.36 5.36 0.13 -4.64 117.98 122.36 3f91 s PHE 148 Ca -0.01 1.66 -0.11 0.00 -0.96 0.00 0.00 56.93 57.51 3f91 s PHE 148 Cb -0.09 -3.33 0.09 0.00 -0.34 0.00 0.00 43.02 39.34 3f91 s PHE 148 CO 0.02 -0.73 1.09 -2.14 -1.46 0.00 0.00 175.22 172.00 3f91 s PRO 149 N -1.54 1.85 0.19 10.12 0.02 -1.26 -4.93 135.00 139.45 3f91 s PRO 149 Ca 0.46 1.03 -0.33 0.00 0.02 0.00 0.00 61.00 62.17 3f91 s PRO 149 Cb -0.33 -1.86 -0.14 0.00 0.02 0.00 0.00 34.50 32.19 3f91 s PRO 149 CO 0.42 -1.89 1.47 -1.91 -0.33 0.00 0.00 177.00 174.77 3f91 n GLU 150 N -3.67 2.00 -3.16 5.54 2.13 -1.26 -4.96 120.64 117.26 3f91 n GLU 150 Ca 0.08 0.72 -0.41 0.00 0.66 0.00 0.00 57.16 58.20 3f91 n GLU 150 Cb 0.54 -2.42 -0.07 0.00 0.27 0.00 0.00 31.44 29.76 3f91 n GLU 150 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3f91 s ILE 151 N 0.41 4.94 -0.56 6.31 1.01 -1.26 -5.03 121.20 127.02 3f91 s ILE 151 Ca 0.74 0.56 -0.27 0.00 0.00 0.00 0.00 60.65 61.68 3f91 s ILE 151 Cb -0.69 -4.02 0.03 0.00 0.01 0.00 0.00 42.46 37.79 3f91 s ILE 151 CO 0.44 -0.25 1.12 -0.62 0.00 0.00 0.00 174.94 175.64 3f91 s ASP 152 N 1.75 6.45 0.00 3.58 3.68 -1.26 -4.89 116.67 125.98 3f91 s ASP 152 Ca 0.23 0.06 0.21 0.00 2.13 0.00 0.00 52.55 55.18 3f91 s ASP 152 Cb -0.15 -2.53 0.90 0.00 -1.45 0.00 0.00 42.92 39.70 3f91 s ASP 152 CO 0.14 -1.38 1.67 0.18 0.13 0.00 0.00 175.17 175.90 3f91 n LEU 153 N 8.12 0.00 -0.08 -1.34 4.77 -1.26 -0.82 117.00 126.39 3f91 n LEU 153 Ca 0.07 0.49 -0.06 0.00 -0.03 0.00 0.00 56.01 56.49 3f91 n LEU 153 Cb 0.49 -0.49 0.13 0.00 -2.33 0.00 0.00 43.42 41.21 3f91 n LEU 153 CO 0.70 -0.14 0.77 -0.08 -1.33 0.00 0.00 177.39 177.31 3f91 h GLU 154 N 0.00 0.74 0.02 3.23 4.57 -2.03 -3.34 114.58 117.77 3f91 h GLU 154 Ca 0.00 -0.26 -0.24 0.00 -1.18 0.00 0.00 59.36 57.68 3f91 h GLU 154 Cb 0.36 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 3f91 h GLU 154 CO 0.00 0.84 -1.32 0.87 -1.18 0.00 0.00 179.01 178.23 3f91 h LYS 155 N 0.66 0.05 -5.07 1.92 1.57 -1.84 -3.46 116.57 110.41 3f91 h LYS 155 Ca 0.11 -0.09 -0.68 0.00 -1.87 0.00 0.00 60.65 58.12 3f91 h LYS 155 Cb 0.62 0.03 -0.17 0.00 0.08 0.00 0.00 32.23 32.79 3f91 h LYS 155 CO 0.04 1.04 0.06 0.71 -0.57 0.00 0.00 179.45 180.73 3f91 s TYR 156 N -2.39 3.05 -0.08 -1.35 1.51 -0.00 -4.22 117.35 113.88 3f91 s TYR 156 Ca -0.27 -0.41 -0.25 0.00 -1.01 0.00 0.00 57.07 55.13 3f91 s TYR 156 Cb 0.05 -3.46 -0.03 0.00 -0.11 0.00 0.00 41.96 38.42 3f91 s TYR 156 CO 0.63 -0.98 0.77 0.15 -1.11 0.00 0.00 175.55 175.01 3f91 s LYS 157 N 2.67 4.42 -0.16 -0.62 -0.14 -0.40 -4.52 119.74 121.00 3f91 s LYS 157 Ca 0.17 1.00 -0.29 0.00 -1.36 0.00 0.00 55.97 55.48 3f91 s LYS 157 Cb -0.18 -3.48 -0.01 0.00 -1.68 0.00 0.00 37.83 32.48 3f91 s LYS 157 CO 0.14 -0.04 1.24 -1.17 -0.76 0.00 0.00 175.35 174.76 3f91 s LEU 158 N 1.14 4.18 0.23 3.17 2.96 -1.26 -1.12 118.68 127.98 3f91 s LEU 158 Ca 0.40 1.68 -0.30 0.00 -0.22 0.00 0.00 54.13 55.70 3f91 s LEU 158 Cb -0.18 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.88 3f91 s LEU 158 CO 0.18 -0.74 1.05 -0.76 -1.32 0.00 0.00 176.35 174.76 3f91 s LEU 159 N 3.37 4.56 0.08 -0.68 1.43 0.22 -4.95 118.68 122.72 3f91 s LEU 159 Ca 0.54 2.10 0.22 0.00 -1.03 0.00 0.00 54.13 55.96 3f91 s LEU 159 Cb -0.22 -3.61 0.90 0.00 0.03 0.00 0.00 46.19 43.29 3f91 s LEU 159 CO 0.15 -0.08 1.69 -0.81 0.23 0.00 0.00 176.35 177.54 3f91 n PRO 160 N 1.71 0.08 -3.53 1.29 -0.04 -1.26 -4.71 135.00 128.53 3f91 n PRO 160 Ca -0.00 0.21 -0.10 0.00 -0.04 0.00 0.00 63.50 63.57 3f91 n PRO 160 Cb 0.46 -1.62 -0.03 0.00 -0.04 0.00 0.00 33.50 32.27 3f91 n PRO 160 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3f91 s GLU 161 N -3.08 0.76 -0.19 0.54 -1.05 -1.26 -5.12 118.70 109.30 3f91 s GLU 161 Ca 0.09 -0.10 -0.10 0.00 -0.15 0.00 0.00 54.97 54.71 3f91 s GLU 161 Cb 0.13 0.35 0.06 0.00 -0.44 0.00 0.00 34.13 34.23 3f91 s GLU 161 CO 0.42 -0.29 0.45 -0.47 0.95 0.00 0.00 175.26 176.31 3f91 s TYR 162 N -2.26 -0.68 0.10 4.83 5.04 -1.26 -5.04 117.35 118.08 3f91 s TYR 162 Ca 0.01 1.42 -0.34 0.00 -2.44 0.00 0.00 57.07 55.72 3f91 s TYR 162 Cb -0.01 0.32 -0.13 0.00 0.35 0.00 0.00 41.96 42.49 3f91 s TYR 162 CO -0.04 -0.38 1.65 -2.30 -1.34 0.00 0.00 175.55 173.15 3f91 n PRO 163 N 4.32 2.16 -0.63 4.97 -0.02 -1.26 -1.68 135.00 142.85 3f91 n PRO 163 Ca -0.22 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3f91 n PRO 163 Cb 0.55 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3f91 n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f91 n GLY 164 N 3.66 0.75 3.18 -1.23 0.00 -1.26 -5.02 105.19 105.27 3f91 n GLY 164 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3f91 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f91 s VAL 165 N -2.63 2.83 0.26 1.61 1.01 -0.68 -5.09 120.40 117.72 3f91 s VAL 165 Ca 0.00 -1.14 -0.31 0.00 0.00 0.00 0.00 61.98 60.53 3f91 s VAL 165 Cb 0.00 -2.49 -0.12 0.00 0.00 0.00 0.00 36.38 33.77 3f91 s VAL 165 CO 0.00 0.13 1.64 0.18 0.00 0.00 0.00 175.10 177.05 3f91 n LEU 166 N 4.64 4.22 0.07 3.92 4.32 -1.26 -4.65 117.00 128.27 3f91 n LEU 166 Ca -0.16 1.12 0.11 0.00 -0.02 0.00 0.00 56.01 57.06 3f91 n LEU 166 Cb 0.46 -1.58 -0.04 0.00 -1.62 0.00 0.00 43.42 40.63 3f91 n LEU 166 CO 0.26 0.16 -0.19 -1.20 -1.22 0.00 0.00 177.39 175.20 3f91 n SER 167 N 2.80 0.62 -4.69 -1.43 7.64 -1.26 -4.33 113.62 112.97 3f91 n SER 167 Ca 0.11 0.23 -0.26 0.00 1.01 0.00 0.00 58.87 59.97 3f91 n SER 167 Cb 0.36 0.87 0.10 0.00 -1.01 0.00 0.00 64.21 64.53 3f91 n SER 167 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3f91 s ASP 168 N -5.11 4.34 0.04 6.43 3.84 -1.26 -4.87 116.67 120.09 3f91 s ASP 168 Ca -0.02 0.15 -0.30 0.00 -0.00 0.00 0.00 52.55 52.38 3f91 s ASP 168 Cb 0.11 -0.61 -0.05 0.00 -1.38 0.00 0.00 42.92 40.99 3f91 s ASP 168 CO 0.82 -1.89 1.08 -0.69 -0.00 0.00 0.00 175.17 174.50 3f91 s VAL 169 N -3.33 4.42 0.25 2.11 1.01 -1.26 -4.66 120.40 118.95 3f91 s VAL 169 Ca 0.65 1.76 0.05 0.00 0.00 0.00 0.00 61.98 64.44 3f91 s VAL 169 Cb -0.08 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 3f91 s VAL 169 CO 0.46 0.15 0.38 -1.10 0.00 0.00 0.00 175.10 174.99 3f91 s GLN 170 N 0.91 3.43 -0.17 2.72 -1.52 0.13 -4.95 119.66 120.21 3f91 s GLN 170 Ca 0.55 -0.73 -0.08 0.00 -1.95 0.00 0.00 55.36 53.14 3f91 s GLN 170 Cb -0.25 -2.87 0.06 0.00 -0.22 0.00 0.00 33.01 29.73 3f91 s GLN 170 CO 0.29 0.39 0.40 -2.00 -0.25 0.00 0.00 175.29 174.11 3f91 s GLU 171 N -4.02 0.36 -0.00 2.91 2.12 -1.26 -0.87 118.70 117.93 3f91 s GLU 171 Ca 0.35 0.82 0.00 0.00 0.36 0.00 0.00 54.97 56.51 3f91 s GLU 171 Cb -0.09 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.34 3f91 s GLU 171 CO 0.30 -0.18 -0.01 -1.21 -0.54 0.00 0.00 175.26 173.62 3f91 s GLU 172 N 1.66 0.09 -1.45 4.30 2.02 -0.89 -4.86 118.70 119.58 3f91 s GLU 172 Ca -0.08 -0.02 -0.09 0.00 0.02 0.00 0.00 54.97 54.80 3f91 s GLU 172 Cb -0.09 -0.12 0.05 0.00 0.10 0.00 0.00 34.13 34.07 3f91 s GLU 172 CO -0.12 0.00 0.73 1.63 0.02 0.00 0.00 175.26 177.52 3f91 n LYS 173 N 3.19 -4.86 -1.00 1.61 5.02 -1.26 -1.13 118.16 119.74 3f91 n LYS 173 Ca -0.14 0.67 -0.00 0.00 -2.02 0.00 0.00 58.31 56.82 3f91 n LYS 173 Cb 0.58 -5.51 -0.00 0.00 -0.02 0.00 0.00 35.03 30.08 3f91 n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f91 n GLY 174 N -1.50 0.28 3.32 0.72 0.00 -1.26 -4.99 105.19 101.76 3f91 n GLY 174 Ca -0.02 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3f91 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f91 s ILE 175 N -1.56 3.56 0.16 -0.61 1.01 -0.28 -5.10 121.20 118.38 3f91 s ILE 175 Ca 0.00 -0.57 -0.26 0.00 0.00 0.00 0.00 60.65 59.83 3f91 s ILE 175 Cb 0.00 -2.70 -0.08 0.00 0.01 0.00 0.00 42.46 39.69 3f91 s ILE 175 CO 0.00 0.31 0.79 -0.54 0.00 0.00 0.00 174.94 175.50 3f91 s LYS 176 N 1.48 4.59 0.14 2.79 1.02 -1.26 -2.09 119.74 126.40 3f91 s LYS 176 Ca 0.04 1.18 -0.10 0.00 0.02 0.00 0.00 55.97 57.11 3f91 s LYS 176 Cb -0.15 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 3f91 s LYS 176 CO -0.01 0.53 0.29 1.52 -0.92 0.00 0.00 175.35 176.76 3f91 s TYR 177 N -1.00 0.21 0.02 3.18 -0.85 -0.05 -0.83 117.35 118.02 3f91 s TYR 177 Ca 0.37 -0.59 -0.06 0.00 -0.52 0.00 0.00 57.07 56.28 3f91 s TYR 177 Cb -0.23 0.02 -0.01 0.00 0.38 0.00 0.00 41.96 42.12 3f91 s TYR 177 CO 0.26 -0.68 0.10 -1.59 -1.52 0.00 0.00 175.55 172.12 3f91 s LYS 178 N -3.91 0.50 -0.04 -3.49 -2.85 -0.72 0.17 119.74 109.41 3f91 s LYS 178 Ca 0.11 -0.58 -0.07 0.00 -1.00 0.00 0.00 55.97 54.44 3f91 s LYS 178 Cb 0.03 0.20 -0.04 0.00 -2.06 0.00 0.00 37.83 35.96 3f91 s LYS 178 CO -0.05 -0.12 0.22 -0.06 0.10 0.00 0.00 175.35 175.44 3f91 s PHE 179 N -1.91 3.59 0.04 1.78 0.40 -1.26 -0.52 117.98 120.09 3f91 s PHE 179 Ca -0.11 0.55 0.01 0.00 -0.60 0.00 0.00 56.93 56.79 3f91 s PHE 179 Cb -0.05 -1.97 -0.02 0.00 0.51 0.00 0.00 43.02 41.49 3f91 s PHE 179 CO -0.01 0.66 -0.05 -1.21 0.70 0.00 0.00 175.22 175.31 3f91 s GLU 180 N -1.50 0.45 -0.09 0.44 2.02 -0.02 -4.86 118.70 115.14 3f91 s GLU 180 Ca 0.23 -0.74 0.02 0.00 0.02 0.00 0.00 54.97 54.50 3f91 s GLU 180 Cb -0.13 -0.09 0.01 0.00 0.10 0.00 0.00 34.13 34.03 3f91 s GLU 180 CO 0.12 -0.00 -0.14 0.08 0.02 0.00 0.00 175.26 175.34 3f91 s VAL 181 N -1.64 1.32 0.08 2.63 1.01 -1.26 -0.93 120.40 121.61 3f91 s VAL 181 Ca -0.11 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.38 3f91 s VAL 181 Cb -0.08 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3f91 s VAL 181 CO -0.01 0.40 -0.11 -0.31 0.00 0.00 0.00 175.10 175.07 3f91 s TYR 182 N 0.87 2.72 -0.03 5.22 1.51 -0.02 -0.61 117.35 127.01 3f91 s TYR 182 Ca -0.10 -0.16 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 3f91 s TYR 182 Cb -0.15 -1.46 0.03 0.00 -0.11 0.00 0.00 41.96 40.26 3f91 s TYR 182 CO 0.01 0.39 -0.00 -2.00 -1.11 0.00 0.00 175.55 172.84 3f91 s GLU 183 N -1.95 0.33 0.34 -0.62 2.12 -0.27 -0.34 118.70 118.30 3f91 s GLU 183 Ca 0.19 0.07 0.10 0.00 0.36 0.00 0.00 54.97 55.69 3f91 s GLU 183 Cb -0.11 -0.51 -0.06 0.00 0.26 0.00 0.00 34.13 33.71 3f91 s GLU 183 CO 0.11 -0.14 -0.08 -1.59 -0.54 0.00 0.00 175.26 173.02 3f91 s LYS 184 N 1.04 1.87 -0.30 4.30 -2.85 -0.27 -1.27 119.74 122.25 3f91 s LYS 184 Ca -0.10 -1.87 0.05 0.00 -1.00 0.00 0.00 55.97 53.05 3f91 s LYS 184 Cb -0.14 -1.77 0.19 0.00 -2.06 0.00 0.00 37.83 34.06 3f91 s LYS 184 CO -0.02 0.16 0.55 1.21 0.10 0.00 0.00 175.35 177.35 3f91 s ASN 185 N -3.62 -1.11 0.00 0.03 3.04 -1.26 -1.90 114.94 110.12 3f91 s ASN 185 Ca 0.33 -0.04 0.00 0.00 0.04 0.00 0.00 52.86 53.18 3f91 s ASN 185 Cb 0.01 1.79 0.00 0.00 -1.54 0.00 0.00 41.25 41.51 3f91 s ASN 185 CO 0.17 -0.30 0.00 -0.90 -3.04 0.00 0.00 177.10 173.03